3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester (HCID 153994)

概要

Clevidipine is a dihydropyridine.

名称と識別子

優先名称: 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester
IUPAC: 5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
英語名: Clevidipine
分子式: C21H23Cl2NO6
分子量: 456.32

名称と別名

Clevidipine167221-71-8CleveloxClevidepineClevidepine butyrateClevidipino3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-[(1-oxobutoxy)methyl] esterDTXSID6057661H-324/3819O2GP3B7QH324/38METHYL 5-{[(BUTANOYLOXY)METHOXY]CARBONYL}-4-(2,3-DICHLOROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE

名称をさらに表示

Clevidipine impuritylevidipineClevidipine USP/EP/BP3-((butyryloxy)Methyl) 5-Methyl 4-(2,3-dichlorophenyl)-2,6-diMethylpyridine-3,5-dicarboxylate(±)-4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid butoxy methyl methyl diester

DTXCID70314503,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, methyl (1-oxobutoxy)methyl esterbutyroxymethyl methyl 4-(2',3'-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2,3-DICHLOROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-METHYL 5-((1-OXOBUTOXY)METHYL) ESTERO3-(butanoyloxymethyl) O5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateclevidipinumclevipidinemethyl 5-(((butanoyloxy)methoxy)carbonyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

データベース識別子

CAS: 166432-28-6、167221-71-8
PubChem CID: 153994
DTXSID: DTXSID6057661
ChEMBL: CHEMBL1237132
ChEBI: CHEBI:135738
UNII: 19O2GP3B7Q
EC Number: 682-702-2、814-032-5
Nikkaji: J772.200A

物性

構造計算による物性

XLogP: 4.3
極性表面積: 90.9 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 10
重原子数: 30
形式電荷: 0
複雑度: 748

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

物理化学的性質

融点: 137 · 137-139°C
貯蔵温度: Refrigerator
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P316, P308+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 3 (33.3%)

Repr. 2 (100%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Clevidipine

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

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

ATC Code · 3 件

C08CA16

C - Cardiovascular system

QC - Cardiovascular system

Protein Binding>99.5%

Pharmacodynamics · 1 件

Clevidipine belongs to a well-known class of drugs called dihydropyridine calcium channel antagonists. Clevidpine is the first third generation intravenous dihydropyridine calcium channel blocker. In vitro studies demonstrated that clevidipine acts by selectively relaxing the smooth muscle cells that line small arteries, resulting in arterial dilation, widening of the artery opening, and without reducing central venous pressure or reducing cardiac output.

Mechanism of Action · 1 件

Possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, clevidipine inhibits the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. The resultant inhibition of the contractile processes of the myocardial smooth muscle cells leads to dilation of the coronary and systemic arteries and improved oxygen delivery to the myocardial tissue.

Biological Half-Life1 minute

Metabolism/MetabolitesClevidipine is rapidly hydrolyzed to inactive metabolites by esterases in arterial blood.

応用分野

使用Antihypertensive.

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3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-((1-oxobutoxy)methyl) ester

基本情報

概要