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

HCID 153994CAS 166432-28-6

기본 정보

표준 SMILES
CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
InChIKey
KPBZROQVTHLCDU-UHFFFAOYSA-N
분자식
C21H23Cl2NO6
평균 분자량
456.3 g/mol
단동위원소 질량
455.09024282

개요

Clevidipine is a dihydropyridine.

이름 및 식별자

우선 이름
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
영어명
Clevidipine
분자식
C21H23Cl2NO6
분자량
456.32

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
4.3
극성 표면적
90.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
10
무거운 원자 수
30

실험 및 물리화학적 성질

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
137 · 137-139°C
저장 조건
Refrigerator
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 3 (33.3%)

Repr. 2 (100%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Clevidipine

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361

화학 및 산업

약리 정보

ATC Code · 3건

C08CA16

C - Cardiovascular system

QC - Cardiovascular system

Protein Binding>99.5%
Pharmacodynamics · 1건

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 · 1건

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.

응용 분야

용도Antihypertensive.

공급사50 곳

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