기본 정보
- CAS
329773-35-5- 표준 SMILES
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1- InChIKey
WPYWMXNXEZFMAK-UHFFFAOYSA-N- 분자식
- C36H39NO5
- 평균 분자량
- 565.7 g/mol
- 단동위원소 질량
- 565.28282334
개요
Cinaciguat is a benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure. It has a role as a vasodilator agent, an antihypertensive agent and a soluble guanylate cyclase activator. It is a member of benzoic acids, an aromatic ether, a dicarboxylic acid and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- Cinaciguat
- IUPAC
- 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
- 영어명
- 4-[N-(4-Carboxybutyl)-N-[2-[2-[4-(2-phenylethyl)benzyloxy]phenyl]ethyl]aMinoMethyl]benzoic acid
- 분자식
- C36H39NO5
- 분자량
- 565.7
이름 및 동의어
Cinaciguat329773-35-5BAY 58-2667BAY582667cinaciguatum59K0Y58UADDTXSID40954614CHEBI:1424334-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid4-(((4-CARBOXYBUTYL)(2-(2-((4-(2-PHENYLETHYL)PHENYL)METHOXY)PHENYL)ETHYL)AMINO)METHYL)BENZOIC ACID4-{[(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)phenyl]methoxy}phenyl)ethyl]amino]methyl}benzoic acid4-({(4-Carboxybutyl)[2-(2-{[4-(2-phenylethyl)phenyl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid
이름 더 보기
CS-778Cinaciguat BAY-58-2667Cinaciguat, 10 mM in DMSOCinaciguat,Inhibitor,inhibit,Guanylate Cyclase4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-benzoic acidBenzoic acid, 4-[[(4-carboxybutyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-
RefChem:918639DTXCID401382629BAY-58-26674-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid4-[N-(4-Carboxybutyl)-N-[2-[2-[4-(2-phenylethyl)benzyloxy]phenyl]ethyl]aMinoMethyl]benzoic acid4-(((4-Carboxybutyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoic acid4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acidCinaciguat [INN]
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 767
물리화학적 성질
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사62 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
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