Nilvadipine
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기본 정보
- CAS
75530-68-6- 표준 SMILES
COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1- InChIKey
FAIIFDPAEUKBEP-UHFFFAOYSA-N- 분자식
- C19H19N3O6
- 평균 분자량
- 385.4 g/mol
- 단동위원소 질량
- 385.12738533
이름 및 식별자
- 우선 이름
- Nilvadipine
- IUPAC
- 3-O-methyl 5-O-propan-2-yl 2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- Nilvadipine
- 분자식
- C19H19N3O6
- 분자량
- 385.37
이름 및 동의어
nilvadipine75530-68-6EscorNivadilNivadipineFR-34235NilvadipinoNivadipFK 235NilvadipinumDl-nilvadipineFK-235
이름 더 보기
SKF-fk235ARC029CL 287389BAY-e-6927SKF-102362
SK&F 102,362CL 287,389DTXSID2046624SK&F-102362CL-287389SK&F-102,3620214FUT37JCL-287,389
데이터베이스 식별자
- CAS
75530-68-6- PubChem CID
- 4494
- DTXSID
DTXSID2046624- ChEMBL
CHEMBL517427- ChEBI
CHEBI:31911- UNII
- 0214FUT37J
- EC Number
- 805-887-5
- Nikkaji
- J22.253D
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 783
실험 및 물리화학적 성질
Physical DescriptionSolid
Kovats Retention Index2729.22
물리화학적 성질
- 녹는점
- 148 · 148-150°C
- 끓는 점
- 511.83 °C · 511.83°C (rough estimate)
- 밀도
- 1.3937 · 1.3937 (rough estimate)
- 굴절률
- 1.59 · 1.5900 (estimate)
- 저장 조건
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 용해도
- 15 mg/mL, · DMSO: 용해성15mg/mL, 투명
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- -0.81 · -0.81±0.70(Predicted)
- 색상
- 흰색에서 베이지색
- Merck
- 14 · 14,6545
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
- InChI
- 1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
- InChIKey
- FAIIFDPAEUKBEP-UHFFFAOYSA-N
- SMILES
- [N+](=O)([O-])c1cc(ccc1)C2C(=C(NC(=C2C(=O)OC)C#N)C)C(=O)OC(C)C
화학적 성질
Yellow Prisms
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- US7968300
- 독성
- LD50 oral in rat: 1560mg/kg
- HS 번호
- 2933.39.9200
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system；C08 - Calcium channel blockers；C08C - Selective calcium channel blockers with mainly vascular effects；C08CA - Dihydropyridine derivatives；C08CA10 - Nilvadipine
QC - Cardiovascular system；QC08 - Calcium channel blockers；QC08C - Selective calcium channel blockers with mainly vascular effects；QC08CA - Dihydropyridine derivatives；QC08CA10 - Nilvadipine
Pharmacodynamics
Nilvadipine is similar to other dihydropyridines including amlodipine, felodipine, isradipine, and nicardipine. Nilvadipine is used to treat Prinzmetal's angina, hypertension, and other vascular disorders such as Raynaud's phenomenon. By blocking the calcium channels, Nifedipine inhibits the spasm of the coronary artery and dilates the systemic arteries, results in a increase of myocardial oxygen supply and a decrease in systemic blood pressure.
Mechanism of Action
Nilvadipine inhibits the influx of extracellular calcium through myocardial and vascular membrane pores by physically plugging the channel. The decrease in intracellular calcium inhibits the contractile processes of 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.
Cellular LocationsMembrane
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >50；Consumption (g per capita; approx.) in Germany (2009): 0.000611；Calculated removal (%): 24.5
응용 분야
개요Nilvadipine is a new, second-generation calcium channel blocker effective in the treatment of hypertension and angina pectoris. Its potent inhibitory effect on the stimulated chemotaxis of smooth muscle cells and protective action against calcium deposition suggest that nilvadipine may be useful for preventing and treating atherosclerosis.
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