アセタゾラミド
概要
説明
アセタゾラミドは、医療分野で広く使用されている炭酸脱水酵素阻害剤です。緑内障、てんかん、高山病、周期性麻痺、特発性頭蓋内圧亢進症、心不全の治療に効果があることで知られています。 この化合物は尿のアルカリ化にも使用されます . アセタゾラミドは1952年に初めて導入され、ジェネリック医薬品として入手可能です .
2. 製法
合成経路と反応条件： アセタゾラミドの合成には、チオール誘導体の酸化によるスルホニルクロリド中間体の生成が含まれます。 この中間体は、さまざまなアミン、ヒドラゾン、ビスアミン前駆体と反応して、新しいスルホンアミド誘導体を生成します . 酸化プロセスは、塩素ガスを次亜塩素酸ナトリウム（市販の漂白剤）に置き換えることで強化でき、安全性と環境条件が向上します .
工業生産方法： 工業的な環境では、アセタゾラミドは、アセタゾラミドと乳糖、コーンスターチ、予め糊化されたスターチ、PVP、ショ糖、カルボキシメチルスターチナトリウムを混合することによって製造されます。 混合物をペレット化し、乾燥させて錠剤化することにより、アセタゾラミド錠が得られます .
作用機序
アセタゾラミドは、炭酸脱水酵素を阻害することにより、二酸化炭素と水から水素イオンと重炭酸イオンの生成を減少させます . この阻害は、腎臓の近位尿細管における重炭酸イオン、ナトリウムイオン、塩化物イオンの再吸収を減少させ、これらのイオンと過剰な水を増加して排泄します . この機序は、血圧、頭蓋内圧、眼圧を下げるのに役立ちます .
類似化合物：
スルファニルアミド： より早期に発見された化合物で、同様の酵素阻害活性がありますが、アセタゾラミドよりもはるかに効力が弱いです.
その他のスルホンアミド誘導体： 炭酸脱水酵素活性が弱～中程度のさまざまな利尿薬と抗けいれん薬.
アセタゾラミドの独自性： アセタゾラミドは、炭酸脱水酵素に対する強力な阻害効果により、幅広い疾患の治療に非常に効果的です。 利尿薬、抗けいれん薬、緑内障薬としての作用により、臨床および研究の両方の場面で、その多様性と重要性が強調されています .
科学的研究の応用
Acetazolamide has a wide range of scientific research applications:
Chemistry: Used as a carbonic anhydrase inhibitor in various chemical reactions.
Biology: Studied for its effects on cellular membrane ion/water channel activity.
Medicine: Used to treat glaucoma, epilepsy, acute mountain sickness, periodic paralysis, idiopathic intracranial hypertension, and heart failure.
Industry: Utilized in the production of pharmaceuticals and as an antibacterial and antioxidant agent.
生化学分析
Biochemical Properties
Acetazolamide’s major biochemical and pharmacological effect is deemed to be carbonic anhydrase inhibition . It interacts with this enzyme, inhibiting its activity . This interaction plays a significant role in the biochemical reactions involving Acetazolamide .
Cellular Effects
Acetazolamide has a profound impact on cellular membrane ion/water channel activity . It influences cell function by modulating these channels, which can affect cell signaling pathways, gene expression, and cellular metabolism .
Molecular Mechanism
The molecular mechanism of Acetazolamide is primarily based on its inhibition of carbonic anhydrase . This inhibition leads to changes in ion/water channel activity at the cellular membrane, which can result in changes in gene expression .
Temporal Effects in Laboratory Settings
The effects of Acetazolamide can change over time in laboratory settings . Information on the product’s stability, degradation, and any long-term effects on cellular function observed in in vitro or in vivo studies is currently being researched .
Dosage Effects in Animal Models
The effects of Acetazolamide can vary with different dosages in animal models . Studies are ongoing to determine any threshold effects observed in these studies, as well as any toxic or adverse effects at high doses .
Metabolic Pathways
Acetazolamide is involved in metabolic pathways through its interaction with carbonic anhydrase . This interaction can affect metabolic flux or metabolite levels .
Transport and Distribution
It is believed to interact with certain transporters or binding proteins, which could affect its localization or accumulation .
Subcellular Localization
The subcellular localization of Acetazolamide and its effects on its activity or function are areas of active research . It is possible that certain targeting signals or post-translational modifications direct it to specific compartments or organelles .
準備方法
Synthetic Routes and Reaction Conditions: The synthesis of acetazolamide involves the oxidation of a thiol derivative to form a sulfonyl chloride intermediate. This intermediate then reacts with various amines, hydrazones, and bis-amine precursors to create new sulfonamide derivatives . The oxidation process can be enhanced by substituting chlorine gas with sodium hypochlorite (commercial bleach), which improves safety and environmental conditions .
Industrial Production Methods: In industrial settings, acetazolamide is produced by mixing acetazolamide with lactose, cornstarch, pregelatinized starch, PVP, sucrose, and carboxymethyl starch sodium. The mixture is then pelletized, dried, and tabletted to obtain acetazolamide tablets .
化学反応の分析
反応の種類： アセタゾラミドは、酸化、還元、置換など、さまざまな化学反応を起こします。 この化合物は、炭酸脱水酵素を阻害することで知られており、その結果、二酸化炭素と水から水素イオンと重炭酸イオンの生成が減少します .
一般的な試薬と条件：
生成される主要な生成物： これらの反応から生成される主要な生成物には、抗菌性と抗酸化性が強化された新規スルホンアミド誘導体が含まれます .
4. 科学研究への応用
アセタゾラミドは、幅広い科学研究への応用があります。
類似化合物との比較
Sulfanilamide: An earlier discovered compound with similar enzymatic inhibitory activity but much less potent than acetazolamide.
Other Sulfonamide Derivatives: Various diuretics and anticonvulsants with minor to moderate carbonic anhydrase activity.
Uniqueness of Acetazolamide: Acetazolamide stands out due to its potent inhibitory effect on carbonic anhydrase, making it highly effective in treating a wide range of medical conditions. Its ability to act as a diuretic, anticonvulsant, and glaucoma medication highlights its versatility and importance in both clinical and research settings .
特性
IUPAC Name |
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
BZKPWHYZMXOIDC-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CC(=O)NC1=NN=C(S1)S(=O)(=O)N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C4H6N4O3S2 |
Source
|
| Record name | ACETAZOLAMIDE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/19702 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
| Explanation | CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data. | |
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Related CAS |
1424-27-7 (mono-hydrochloride salt) |
Source
|
| Record name | Acetazolamide [USP:INN:BAN:JAN] | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000059665 | |
| Description | ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system. | |
DSSTOX Substance ID |
DTXSID7022544 |
Source
|
| Record name | Acetazolamide | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID7022544 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
222.3 g/mol |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Physical Description |
Acetazolamide appears as white to yellowish-white fine crystalline powder. No odor or taste. (NTP, 1992), Solid |
Source
|
| Record name | ACETAZOLAMIDE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/19702 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
| Explanation | CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data. | |
| Record name | Acetazolamide | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014957 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Solubility |
>33.3 [ug/mL] (The mean of the results at pH 7.4), less than 1 mg/mL at 72 °F (NTP, 1992), SPARINGLY SOL IN COLD WATER, SLIGHTLY SOL IN ALCOHOL, INSOL IN CHLOROFORM, DIETHYL ETHER, CARBON TETRACHLORIDE; SLIGHTLY SOL IN ACETONE, Readily soluble in 1 N sodium carbonate solution., In water= 980 mg/l at 30 °C., 2.79e+00 g/L |
Source
|
| Record name | SID855900 | |
| Source | Burnham Center for Chemical Genomics | |
| URL | https://pubchem.ncbi.nlm.nih.gov/bioassay/1996#section=Data-Table | |
| Description | Aqueous solubility in buffer at pH 7.4 | |
| Record name | ACETAZOLAMIDE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/19702 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Acetazolamide | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00819 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | ACETAZOLAMIDE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3002 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Acetazolamide | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014957 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Mechanism of Action |
The anticonvulsant activity of Acetazolamide may depend on a direct inhibition of carbonic anhydrase in the CNS, which decreases carbon dioxide tension in the pulmonary alveoli, thus increasing arterial oxygen tension. The diuretic effect depends on the inhibition of carbonic anhydrase, causing a reduction in the availability of hydrogen ions for active transport in the renal tubule lumen. This leads to alkaline urine and an increase in the excretion of bicarbonate, sodium, potassium, and water., Carbonic anhydrase inhibitors potently inhibit (IC50 for acetazolamide is 10 nM) both the membrane bound and cytoplasmic forms of carbonic anhydrase, resulting in nearly complete abolition of NaHCO3 reabsorption in the proximal tubule. /Carbonic Anhydrase Inhibitors/, Although the proximal tubule is the major site of action of carbonic anhydrase inhibitors, carbonic anhydrase also is involved in secretion of titratable acid in the collecting duct system (a process which involves a proton pump), and therefore the collecting duct system is a secondary site of action for this class of drugs. /Carbonic Anhydrase Inhibitors/, Acetazolamide frequently causes paresthesias and somnolence, suggesting an action of carbonic anhydrase inhibitors in the CNS. The efficacy of acetazolamide in epilepsy is in part due to the production of metabolic acidosis; however, direct actions of acetazolamide in the CNS also contribute to its anticonvulsant action., ... Inhibition of carbonic anhydrase decreases the rate of formation of aqueous humor and consequently reduce intraocular pressure. /Carbonic Anhydrase Inhibitors/, For more Mechanism of Action (Complete) data for ACETAZOLAMIDE (6 total), please visit the HSDB record page. |
Source
|
| Record name | Acetazolamide | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00819 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | ACETAZOLAMIDE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3002 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
Color/Form |
CRYSTALS FROM WATER, WHITE TO FAINTLY YELLOWISH WHITE, CRYSTALLINE, POWDER | |
CAS No. |
59-66-5 |
Source
|
| Record name | ACETAZOLAMIDE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/19702 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Acetazolamide | |
| Source | CAS Common Chemistry | |
| URL | https://commonchemistry.cas.org/detail?cas_rn=59-66-5 | |
| Description | CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society. | |
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| Record name | Acetazolamide [USP:INN:BAN:JAN] | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000059665 | |
| Description | ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system. | |
| Record name | Acetazolamide | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00819 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | acetazolamide | |
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| Record name | acetazolamide | |
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| Record name | Acetamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]- | |
| Source | EPA Chemicals under the TSCA | |
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| Record name | Acetazolamide | |
| Source | EPA DSSTox | |
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| Record name | Acetazolamide | |
| Source | European Chemicals Agency (ECHA) | |
| URL | https://echa.europa.eu/substance-information/-/substanceinfo/100.000.400 | |
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| Record name | ACETAZOLAMIDE | |
| Source | FDA Global Substance Registration System (GSRS) | |
| URL | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O3FX965V0I | |
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| Record name | ACETAZOLAMIDE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3002 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Acetazolamide | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014957 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Melting Point |
496 to 498 °F (effervescence) (NTP, 1992), 258-259 °C (EFFERVESCENCE), 260.5 °C |
Source
|
| Record name | ACETAZOLAMIDE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/19702 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Acetazolamide | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00819 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | ACETAZOLAMIDE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3002 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Acetazolamide | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014957 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Synthesis routes and methods
Procedure details
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| Top-N result to add to graph | 6 |
Feasible Synthetic Routes
試験管内研究製品の免責事項と情報
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![ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]phenyl]propyl]-dimethylazanium;diiodide](/img/structure/B1664914.png)
![trimethyl-[3-[4-(trimethylazaniumyl)phenyl]propyl]azanium;diiodide](/img/structure/B1664916.png)
![trimethyl-[4-[4-(trimethylazaniumyl)butyl]phenyl]azanium;diiodide](/img/structure/B1664918.png)
![trimethyl-[4-[6-(trimethylazaniumyl)hexyl]phenyl]azanium;diiodide](/img/structure/B1664920.png)
![[4-[2-[diethyl(methyl)azaniumyl]ethyl]phenyl]-diethyl-methylazanium;diiodide](/img/structure/B1664927.png)
