Nitrendipine
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
39562-70-4- 표준 SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
PVHUJELLJLJGLN-UHFFFAOYSA-N- 분자식
- C18H20N2O6
- 평균 분자량
- 360.4 g/mol
- 단동위원소 질량
- 360.13213636
개요
Nitrendipine is a dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension. It has a role as a geroprotector, a vasodilator agent, an antihypertensive agent and a calcium channel blocker. It is a member of dicarboxylic acids and O-substituted derivatives, an ethyl ester, a methyl ester, a C-nitro compound, a dihydropyridine and a diester.
이름 및 식별자
- 우선 이름
- Nitrendipine
- IUPAC
- 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- Nitrendipine
- 분자식
- C18H20N2O6
- 분자량
- 360.36
이름 및 동의어
nitrendipine39562-70-4BayotensinBaypressNidrelDeitenNitrendipinoNitrendipinumNitrepin3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateBay-e-5009BAY e 5009
이름 더 보기
Nitrendipinbaye5009Bylotensin
nitrendipincoraxNitrePuren1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl esterDTXSID00233739B627AW319NSC-758466CHEBI:7582DTXCID203373
데이터베이스 식별자
- CAS
39562-70-4- PubChem CID
- 4507
- DTXSID
DTXSID0023373- ChEMBL
CHEMBL3195219、CHEMBL475534- ChEBI
CHEBI:7582- UNII
- 9B627AW319
- EC Number
- 254-513-1
- Nikkaji
- J16.451H
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 661
실험 및 물리화학적 성질
DrugsPharmaceuticals
LogP
2.4
2.88
Solubility
Insoluble
1.42e-02 g/L
Human DrugsBreast Feeding; Lactation; Antihypertensive Agents; Calcium Channel Blockers; Vasodilator Agents
Melting Point
156-160 °C
156 - 160 °C
Physical DescriptionSolid
Collision Cross Section
181.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
182.2 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
189.51 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 1580 C · 1580C
- 끓는 점
- 492.4 °C · 492.4°C (rough estimate)
- 밀도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 95) of reports.
Warning
H302+H312 (29.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (29.5%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Nitrendipine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- 1
- rtecs
- US5653000
- 독성
- LD50 in mice, rats (mg/kg): 39, 12.6 i.v.; 2540, >10000 orally (Hoffmann)
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Protein Binding> 99%
Pharmacodynamics
Nitrendipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Nitrendipine is similar to other peripheral vasodilators. Nitrendipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.
Mechanism of Action
By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nitrendipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.
MeSH Pharmacological Classification
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 drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs used to cause dilation of the blood vessels.
관련 반응
1건
화합물 노트
불러오는 중…