기본 정보
- CAS
705260-08-8- 표준 SMILES
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O- InChIKey
NQRYCIGCIAWEIC-CKLVGUEFSA-N- 분자식
- C29H35FN2O8S
- 평균 분자량
- 590.7 g/mol
- 단동위원소 질량
- 590.20981541
개요
Vorapaxar sulfate is an organic sulfate salt obtained by combining vorapaxar with one molar equivalent of sulfuric acid. A protease-activated receptor-1 antagonist used for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation. It has a role as a cardiovascular drug, a platelet aggregation inhibitor and a protease-activated receptor-1 antagonist. It contains a vorapaxar(1+).
이름 및 식별자
- 우선 이름
- Vorapaxar Sulfate
- IUPAC
- ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid
- 현지명
- 보라팍사르황산염
- 영어명
- Vorapaxar Sulfate
- 분자식
- C29H35FN2O8S
- 분자량
- 590.66
이름 및 동의어
VORAPAXAR SULFATE705260-08-8Sch 530348DTXSID60990731IN66038E6CCHEBI:83314RefChem:56277DTXCID401513428686-297-3ZontivityVorapaxar (sulfate)Vorapaxar sulfate [USAN]
이름 더 보기
보라팍사르황산염Vorapaxar-d5SCH 530348 sulfateSCH-530348SCH530348vorapaxar impurity Avorapaxar monosulfateVorapaxar Sulfate APIVorapaxar sulfate salt
MFCD16038877Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester, sulfate (1:1)ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acidethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate sulfateSCH 530348 (sulfate)UNII-IN66038E6CZontivity (TN)2-((E)-2-((3R,3aS,4S,4aR,7R,8aR,9aR)-7-((ethoxycarbonyl)amino)-3-methyl-1-oxododecahydronaphtho(2,3-c)furan-4-yl)ethenyl)-5-(3-fluorophenyl)pyridinium hydrogen sulfate
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 902
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 저장 조건
- 4 °C, · 4°C, away from moisture
- 용해도
- 125 mg/mL · DMSO : 125 mg/mL (211.63 mM; Need ultrasonic)| (insoluble)
- 물리적 상태
- Solid
- 색상
- White to off-white
- 수용성
- 0.1 mg/mL · Water : < 0.1 mg/mL (ultrasonic;warming;heat to 60°C)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H361 (92.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesRepr. 2 (92.3%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Vorapaxar sulfate
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 H302
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
응용 분야
개요Merck Sharp & Dohme successfully obtained approval in the EU in 2014 for vorapaxar sulfate, marketed as Zontivity®. The drug is a first-in-class thrombin receptor (also referred to as a protease-activated or PAR-1) antagonist which, when used in conjunction with antiplatelet therapy, has been shown to reduce the chance of myocardial infarction and stroke, particularly in patients with a history of cardiac events. Antagonism of PAR-1 allows for thrombin-mediated fibrin deposition while blocking thrombinmediated platelet activation.
용도SCH-530348 is a novel antiplatelet agent undergoing development by Schering-Plough Corp for the treatment and prevention of atherothrombosis. acute coronary syndrome (unstable angina/non-ST segment elevation myocardial infarction) and secondary prevention of cardiovascular events in high-risk patients.
공급사100 곳
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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