シラザプリル水和物

Cilazapril Monohydrate

HCID 56329

基本情報

CAS: 92077-78-6
標準SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O.O
InChIKey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
分子式: C22H33N3O6
平均分子量: 435.5 g/mol
単同位体質量: 435.23693578

概要

Cilazapril monohydrate is a hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a prodrug. It contains a cilazapril.

名称と識別子

優先名称: Cilazapril Monohydrate
IUPAC: (4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrate
現地名: シラザプリル水和物
英語名: Cilazapril Monohydrate
分子式: C22H31N3O5.H2O
分子量: 435.51

名称と別名

CILAZAPRIL MONOHYDRATE92077-78-6Ro 31-2848 monohydrateCilazapril hydrateCHEBI:145568DTXSID00238846(1S,9S)-9-(((S)-1-Carboxy-3-phenylpropyl)amino)octahydro-10-oxo-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid 9-ethyl ester monohydrate(1S,9S)-9-[[(S)-1-Carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid 9-ethyl ester monohydrateRefChem:918623DTXCID50161337(1S,9S)-9-((1S)-(1-Ethoxycarbonyl-3-phenylpropyl)amino)-10-oxooctahydro-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid monohydrateCilazapril (monohydrate)

名称をさらに表示

シラザプリル水和物シラザプリル水和物 (JP17)シラザベースインヒロック(1S,9S)-9-[[(1S)-1-(エトキシカルボニル)-3-フェニルプロピル]アミノ]-10-オキソオクタヒドロ-6H-ピリダジノ[1,2-a][1,2]ジアゼピン-1-カルボン酸・水和物(1S,9S)-9-[(1S)-1-エトキシカルボニル-3-フェニルプロピルアミノ]-10-オキソオクタヒドロ-6H-ピリダジノ[1,2-a][1,2]ジアゼピン-1-カルボン酸一水化物シラザプリル・水和物JustorDynormVascaseInitissInhibaceCilazapril CRSCILAZAPRIL EPC(Vascace monohydrateInhibace monohydrate

Cilazapril (USAN)(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrateInhibace (TN)CILAZAPRIL [USAN](1S,9S)-9-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid hydrate(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid--water (1/1)MFCD00865788Cilazapril [USAN:INN:BAN:JAN]

データベース識別子

CAS: 92077-78-6
PubChem CID: 56329
DTXSID: DTXSID00238846
ChEBI: CHEBI:145568
UNII: 19KW7PI29F
EC Number: 620-542-7

物性

構造計算による物性

極性表面積: 100 Å²
水素結合供与体数: 3
水素結合受容体数: 8
回転可能結合数: 9
重原子数: 31
形式電荷: 0
複雑度: 608

物理化学的性質

融点: 98 ° · 98° (dec)
比旋光度: 20 · D20 -62.51° (c = 1% in ethanol)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 水に溶けにくく、メタノール、塩化メチレンに溶けやすい。
外見: Solid
酸解離定数(Pka): 1 · pKa1 3.3; pKa2 6.4(at 25℃)
色: White to off-white
主な用途: 医薬品（低分子化合物）
InChIKey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
SMILES: N21N(CCC[C@H]2C(=O)O)CCC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCC.O

化学的性質

化学的特性White or almost white, crystalline powder.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesRepr. 2 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H361

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

応用分野 · 3 件

用途アンジオテンシン変換酵素（ACE）阻害剤です。活性代謝物質シラザプリラートがACE 活性を阻害します。

説明Cilazapril is a new ACE inhibitor useful in the management of mild to moderate hypertension. Orally administered cilazapril is a prodrug which is de-esterified to its active diacid metabolite cilazprilat. Compared with enalapril and captopril, cilazapril is more potent and longer lasting.

使用Antihypertensive.

上流・下流製品情報

上流原料

Lithium tert-butoxide 炭酸水素カリウムジボラン炭酸ナトリウム

サプライヤー45 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Aladdin Scientific[email protected]

化合物ノート

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