プロメタジン
カタログ番号:
B1679618
CAS番号:
60-87-7
分子量:
284.4 g/mol
InChIキー:
PWWVAXIEGOYWEE-UHFFFAOYSA-N
注意:
研究専用です。人間または獣医用ではありません。
概要
説明
プロメタジンは、フェノチアジン系化合物に属する第一世代の抗ヒスタミン薬です。鎮静作用、制吐作用、抗アレルギー作用など、さまざまな用途で使用されています。プロメタジンは、アレルギー、乗り物酔い、吐き気、嘔吐の治療によく処方されます。 1940年代にロシュ社の科学者によって最初に合成され、1951年に米国で医療用として承認されました .
作用機序
科学的研究の応用
Promethazine has a wide range of scientific research applications. In medicine, it is used as an antihistamine, sedative, and antiemetic. It has been studied for its neuroprotective effects, particularly in reducing ischemia-mediated injury by inhibiting mitochondrial dysfunction . Promethazine has also been explored as a potential imaging probe for Alzheimer’s disease due to its ability to bind to amyloid-beta plaques .
In chemistry, promethazine is used in various analytical techniques, such as sequential injection analysis for the determination of phenothiazines in pharmaceutical formulations . Additionally, it has applications in the development of potentiometric sensors for drug analysis .
生化学分析
Biochemical Properties
Promethazine acts mainly as a strong H1 receptor antagonist (antihistamine) . Additionally, it has high anticholinergic properties, since it blocks acetylcholine responses through the mediation of muscarinic receptors . The binding affinity to human serum albumin (HSA) of Promethazine and its primary metabolites [N-desmethyl promethazine (DMPMZ) and promethazine sulphoxide (PMZSO)] was investigated by high-performance affinity chromatography (HPAC) though zonal approach .
Cellular Effects
Promethazine easily penetrates the blood-brain barrier and is associated with adverse effects such as moderate/intense sedation . An overdose of Promethazine can lead to anticholinergic toxidrome, where signs and symptoms such as dry mouth, difficulty swallowing, mydriasis with blurred vision, and photophobia can be seen .
Molecular Mechanism
Promethazine and its metabolites exhibited a notable binding affinity for HSA (% b values higher than 80%) . Molecular docking studies corroborated the experimental results, reinforcing the insights gained from the empirical data .
Temporal Effects in Laboratory Settings
Promethazine alone in either formulation is rapidly absorbed after oral administration with peak concentrations after 2–3 h . Clinical effects are seen within 20 min and its effects last 4–6 h .
Dosage Effects in Animal Models
The main feature of Promethazine toxicity is delirium, the probability of which can be predicted from the dose ingested . The administration of charcoal and the presence of co-ingestants appears to reduce the probability of delirium in a predictable manner .
Metabolic Pathways
Promethazine is rapidly metabolized into its main metabolites: promethazine sulphoxide (PMZSO) and N-desmonomethyl promethazine (DMPMZ) .
Transport and Distribution
Promethazine and its metabolites bind to both sites of HSA, but mainly in site II . The in silico data also suggested that competition between Promethazine and its metabolites can occur in both sites of HSA .
Subcellular Localization
Given its ability to cross the blood-brain barrier , it can be inferred that Promethazine may localize in various compartments within the cell.
準備方法
プロメタジンは、いくつかの方法で合成することができます。一般的な合成ルートの1つは、ジエチルアミンとエポキシプロパンを反応させて1-ジエチルアミノ-2-プロパノールを得ることです。この中間体は、チオニルクロリドとトルエンと反応させて1-ジエチルアミノ-2-クロロプロパンを生成します。 最後に、1-ジエチルアミノ-2-クロロプロパンをフェノチアジンと反応させて粗プロメタジンを得て、塩酸で精製して塩化プロメタジンを得ます .
工業的な生産方法では、結晶化や塩化などのプロセスを用いて、高純度で高収率の製品が得られます。 例えば、プロメタジン塩基を調製し、乾燥塩化水素ガスを用いて結晶化させることにより、塩化プロメタジンを得ることができます .
化学反応の分析
プロメタジンは、酸化、還元、置換などのさまざまな化学反応を起こします。 注目すべき反応の1つは、酸性媒体中でのセリウム(IV)による酸化で、分光法で検出可能な有色の生成物が生成されます . 別の反応には、プロメタジンとアニリンの酸化カップリングがあり、これは一次反応速度論モデルに従い、安定な生成物を生成します .
これらの反応に使用される一般的な試薬には、セリウム(IV)イオン、アニリン、水素イオンなどがあります。これらの反応から生成される主な生成物は、使用される特定の条件と試薬によって異なります。
科学研究への応用
プロメタジンは、科学研究において幅広い応用範囲を持っています。医学では、抗ヒスタミン薬、鎮静剤、制吐剤として使用されています。 プロメタジンは、神経保護効果、特にミトコンドリアの機能不全を抑制することで虚血による損傷を軽減する効果があることが研究されています . プロメタジンは、アミロイドβプラークに結合する能力があることから、アルツハイマー病の潜在的な画像化プローブとしても研究されています .
化学では、プロメタジンは、薬物製剤中のフェノチアジンの定量のための逐次注入分析などのさまざまな分析技術で使用されています . さらに、薬物分析のための電位測定センサーの開発にも応用されています .
類似化合物との比較
プロメタジンは、他の抗ヒスタミン薬や制吐剤と比較されることが多いです。類似した化合物には、クロルプロマジン、レボメプロマジン、メトクロプラミドなどがあります。 クロルプロマジンとレボメプロマジンもフェノチアジン誘導体ですが、主に抗精神病薬として使用されます . メトクロプラミドは、消化器系の疾患に用いられ、作用機序が異なります .
プロメタジンのユニークさは、アレルギーや乗り物酔いの治療から、神経保護や画像化研究における潜在的な用途まで、幅広い用途があることです。また、複数の受容体タイプと相互作用する能力も、他の類似化合物とは異なる点です。
特性
IUPAC Name |
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
PWWVAXIEGOYWEE-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C17H20N2S |
Source
|
| Record name | PROMETHAZINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20956 | |
| 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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| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID7023518 |
Source
|
| Record name | Promethazine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID7023518 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
284.4 g/mol |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Physical Description |
Crystals. Melting point 60 °C. Used as an antihistamine., Solid |
Source
|
| Record name | PROMETHAZINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20956 | |
| 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 | Promethazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0015202 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
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Boiling Point |
374 to 379 °F at 3 mmHg (NTP, 1992), 190-192 °C at 3.00E+00 mm Hg, BP: 190-192 °C at 3 mm Hg, BP: 191 °C at 0.5 mm Hg |
Source
|
| Record name | PROMETHAZINE | |
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| 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 | Promethazine | |
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Solubility |
Very soluble in dilute hydrogen chloride, In water, 1.56X10-2 g/L (15.6 mg/L) at 24 °C, 2.45e-02 g/L |
Source
|
| Record name | Promethazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB01069 | |
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| Record name | Promethazine | |
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| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3173 | |
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| Record name | Promethazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0015202 | |
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| 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 |
Promethazine is a an antagonist of histamine H1, post-synaptic mesolimbic dopamine, alpha adrenergic, muscarinic, and NMDA receptors. The antihistamine action is used to treat allergic reactions. Antagonism of muscarinic and NMDA receptors contribute to its use as a sleep aid, as well as for anxiety and tension. Antagonism of histamine H1, muscarinic, and dopamine receptors in the medullary vomiting center make promethazine useful in the treatment of nausea and vomiting., Promethazine is a phenothiazine derivative with potent sedative properties. Although the drug can produce either CNS stimulation or CNS depression, CNS depression manifested by sedation is more common with therapeutic doses of promethazine. The precise mechanism of the CNS effects of the drug is not known., Although it has been reported that the drug has slight antitussive activity, this may result from its anticholinergic and CNS depressant effects. In therapeutic doses, promethazine appears to have no substantial effect on the cardiovascular system. Although rapid IV administration of promethazine may produce a transient fall in blood pressure, blood pressure usually is maintained or slightly elevated when the drug is given slowly., Promethazine hydrochloride is a phenothiazine derivative which possesses antihistaminic, sedative, antimotion-sickness, antiemetic, and anticholinergic effects. Promethazine is a competitive H1 receptor antagonist, but does not block the release of histamine. Structural differences from the neuroleptic phenothiazines result in its relative lack (1/10 that of chlorpromazine) of dopamine antagonist properties., The development of phenothiazine derivatives as psychopharmacologic agents resulted from the observation that certain phenothiazine antihistaminic compounds produced sedation. In an attempt to enhance the sedative effects of these drugs, promethazine and chlorpromazine were synthesized. Chlorpromazine is the pharmacologic prototype of the phenothiazines. The pharmacology of phenothiazines is complex, and because of their actions on the central and autonomic nervous systems, the drugs affect many different sites in the body. Although the actions of the various phenothiazines are generally similar, these drugs differ both quantitatively and qualitatively in the extent to which they produce specific pharmacologic effects. /Phenothiazine General Statement/, For more Mechanism of Action (Complete) data for Promethazine (18 total), please visit the HSDB record page. |
Source
|
| Record name | Promethazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB01069 | |
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| Record name | Promethazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3173 | |
| 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, White to faint yellow crystalline powder | |
CAS No. |
60-87-7, 38878-40-9 |
Source
|
| Record name | PROMETHAZINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20956 | |
| 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 | 10H-Phenothiazine-10-ethanamine, N,N,α-trimethyl-, radical ion(1+) | |
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| Record name | Promethazine [INN:BAN] | |
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Melting Point |
140 °F (NTP, 1992), 60 °C, Crystals from ethylene dichloride. Freely soluble in water. Soluble in alcohol, chlorform, practically insoluble in acetone, ether, ethyl acetate; MP: 230-232 °C with some decomp. Max absorption (water): 249, 297 nm (epsilon 28770, 3400). pH of 10% aqueous solution 5.3 /Promethazine hydrochloride/ |
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| Record name | PROMETHAZINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20956 | |
| 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 | Promethazine | |
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| Record name | Promethazine | |
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| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3173 | |
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| Record name | Promethazine | |
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| URL | http://www.hmdb.ca/metabolites/HMDB0015202 | |
| 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
22.6 g of promethazine HCl, 25.0 g of polyvinylpyrrolidone K 90 prepared as in Example 8, 5.0 g of citric acid, 2.0 g of sorbic acid and 60.0 g of sucrose were dissolved in 975.0 g of demineralized water at 50° C., and the solution was cooled to room temperature and dispensed into 50 ml amber glass bottles.
Name
sucrose
Quantity
60 g
Type
reactant
Reaction Step One
[Compound]
Name
amber glass
Quantity
50 mL
Type
reactant
Reaction Step Two
Retrosynthesis Analysis
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Strategy Settings
| Precursor scoring | Relevance Heuristic |
|---|---|
| Min. plausibility | 0.01 |
| Model | Template_relevance |
| Template Set | Pistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis |
| Top-N result to add to graph | 6 |
Feasible Synthetic Routes
Reactant of Route 1
Reactant of Route 1
Promethazine
Reactant of Route 2
Reactant of Route 2
Promethazine
Reactant of Route 3
Reactant of Route 3
Promethazine
Reactant of Route 4
Reactant of Route 4
Promethazine
Reactant of Route 5
Reactant of Route 5
Promethazine
Reactant of Route 6
Reactant of Route 6
Promethazine
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