基本情報
- CAS
167305-00-2- 標準SMILES
O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1- InChIKey
LVRLSYPNFFBYCZ-VGWMRTNUSA-N- 分子式
- C19H24N2O4S2
- 平均分子量
- 408.5 g/mol
- 単同位体質量
- 408.1177496
概要
Omapatrilat is a dipeptide.
名称と識別子
- 優先名称
- Omapatrilat
- IUPAC
- (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
- 現地名
- オマパトリラト
- 英語名
- OMAPATRILAT
- 分子式
- C19H24N2O4S2
- 分子量
- 408.53
名称と別名
Omapatrilat167305-00-2BMS-186716VanlevOmapatrilateBMS-186716-0136NLI90E7TDTXSID80168273(4S,7S,10aS)-Octahydro-4-((S)-alpha-mercaptohydrocinnamamido)-5-oxo-7H-pyrido(2,1-b)(1,3)thiazepine-7-carboxylic acidoctahydro-4-((2-mercapto-1-oxo-3-phenylpropyl)amino)-5-oxo-7H-pyrido(2,1-b)(1,3)thiazepine-7-carboxylic acidomapatrilatum(4S,7S,10aS)-Octahydro-4-[(S)-alpha-mercaptohydrocinnamamido]-5-oxo-7H-pyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
名称をさらに表示
オマパトリラトオマパトリラト (JAN)バンレブ2,3,4,5,8,9,10,10a-オクタヒドロ-5-オキソ-4-[(2-メルカプト-3-フェニルプロパノイル)アミノ]-7H-ピリド[2,1-b][1,3]チアゼピン-7-カルボン酸オマパトリル5-オキソ-4-(3-フェニル-2-スルファニルプロパンアミド)-オクタヒドロ-2H-ピリド[2,1-b][1,3]チアゼピン-7-カルボン酸(4S,7S,10aS)-5-オキソ-4-(3-フェニル-2-スルファニルプロパンアミド)-オクタヒドロ-2H-ピリド[2,1-b][1,3]チアゼピン-7-カルボン酸(4S,7S,10aS)-オクタヒドロ-4-[[1-オキソ-2-メルカプト-3-フェニルプロピル]アミノ]-5-オキソ-7H-ピリド[2,1-b][1,3]チアゼピン-7-カルボン酸BMS 186716-01OMAPATRILAT/VANLEV
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 568
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 融点
- 218 · 218-220°
- 比旋光度
- -78.9 ° · D -78.9° (c = 0.46 in DMF)
- 沸点
- 724.2 · 724.2±60.0 °C(Predicted)
- 比重(密度)
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- 30 mg/ml · DMSO: 30 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 3.44 · 3.44±0.40(Predicted)
- 色
- White to gray
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- 注意喚起語
- 警告
- 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 H302
化学と産業
薬理情報
Pharmacodynamics
Omapatrilat is used to treat hypertension. Vasopeptidase inhibitor that simultaneously inhibits angiotensin-converting enzyme (ACE) and neutral endopeptidase (NEP). Omapatrilat lowers blood pressure by inhibiting the action of the angiotensin converting enzyme (ACE), which causes blood vessels to constrict. But unlike other drugs, omapatrilat also inhibits another enzyme known as neutral endopeptidase (NEP), which helps blood vessels relax. Omapatrilat demonstrated greater reduction in blood pressure than the ACE inhibitor lisinopril in individuals with salt-sensitive hypertension who typically do not respond well to ACE inhibitors.
Mechanism of ActionOmapatrilat binds to both angiotensin converting enzyme and neutral endopeptidase. This results in a decrease renin-angiotensin-aldosterone production and increase natriuretic peptidase circulation.
Metabolism/MetabolitesHepatic
MeSH Pharmacological Classification
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.
A class of cardiovascular drugs indicated for hypertension and congestive heart failure that simultaneously inhibit both NEUTRAL ENDOPEPTIDASE and ANGIOTENSIN CONVERTING ENZYME. They increase the availability of NATRIURETIC PEPTIDES and BRADYKININ and inhibit production of ANGIOTENSIN II.
Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).
Absorption, Distribution and ExcretionThe absolute oral bioavailability of omapatrilat is 20% to 30% and the absorption is not affected by food intake.
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