기본 정보
- CAS
81703-55-1- 표준 SMILES
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C)C/C(=C\CCCC(=O)[O-])C[C@H]12.CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C)C/C(=C\CCCC(=O)[O-])C[C@H]12.[Ca+2]- InChIKey
SIHLLVRXCZZNOX-ZMLBHFFASA-N- 분자식
- C44H70CaO8
- 평균 분자량
- 767.1 g/mol
- 단동위원소 질량
- 766.46966
개요
See also: Ciprostene (has active moiety).
이름 및 식별자
- 우선 이름
- Ciprostene Calcium
- IUPAC
- calcium bis((5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate)
- 영어명
- 6,9ALPHA-METHYLENE-9BETA-METHYL-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, CALCIUM SALT
- 분자식
- C22H38CaO4
- 분자량
- 406.62
이름 및 동의어
CIPROSTENE CALCIUMCiprostene calcium [USAN]9-beta-MethylcarbacyclinUNII-A85Y5Y98EJ81703-55-1A85Y5Y98EJU-61,431FCiprostene calcium (USAN)U 61431FU-61431FCIPROSTENE CALCIUM [MART.]Calcium (Z)-(3aS,5R,6R,6aR)-hexahydro-5-hydroxy-6-((E)-(3S)-3-hydroxy-1-octenyl)-3a-methyl-delta(sup 2)(1H),delta-pentalenevalerate (1:2)
이름 더 보기
CIPROSTENE CALCIUM SALTWKRNCYQUQFBOCZ-FCIOBEBZSA-Mpentalenylidene)-,calciumsalt(2:1),(3as-(2z,3a-alpha,5-beta,6-alpha(1e,3r*5-(hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-3a-methyl-2(1h)-pentanoicaci6,9ALPHA-METHYLENE-9BETA-METHYL-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, CALCIUM SALT
CIPROSTENE CALCIUM (MART.)CALCIUM (Z)-(3AS,5R,6R,6AR)-HEXAHYDRO-5-HYDROXY-6-((E)-(3S)-3-HYDROXY-1-OCTENYL)-3A-METHYL-.DELTA.(SUP 2)(1H),.DELTA.-PENTALENEVALERATE (1:2)Pentanoic acid, 5-(hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-3a-methyl-2(1H)-pentalenylidene)-, calcium salt (2:1), (3aS-(2Z,3aalpha,5beta,6alpha(1E,3R*),6aalpha))-RefChem:126331Ciprostene (calcium salt)calcium;(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoateSCHEMBL667640CHEMBL2106497
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 519
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 25 mg/ml; · DMF: > 25 mg/ml; DMSO: > 16.8 mg/ml; ethanol: > 34 mg/ml; PBS pH 7.2: > 0.29 μg/ml
- 물리적 상태
- 결정성 고체
화학 및 산업
응용 분야
개요Ciprostene is the 9β-methyl analog of carbaprostacyclin and a stable analog of PGI2. Ciprostene exhibits biological activity similar to PGI2, but is 30-fold less potent. In patas monkeys, ciprostene induces hypotension and causes tachycardia when administered at a dose of 0.16 μg/kg/min. In addition, ciprostene inhibits ADP-induced platelet aggregation ex vivo and in vitro with ID50 values of 9.1 μg/kg/min and 60 ng/ml, respectively.
용도Platelet aggregation inhibitor.
공급사6 곳
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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