프라수그렐염산염
Prasugrel Hydrochloride
기본 정보
- CAS
389574-19-0- 표준 SMILES
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl- InChIKey
JALHGCPDPSNJNY-UHFFFAOYSA-N- 분자식
- C20H21ClFNO3S
- 평균 분자량
- 409.9 g/mol
- 단동위원소 질량
- 409.0914706
개요
Prasugrel Hydrochloride is the hydrochloride salt form of prasugrel, an orally bioavailable thienopyridine, with antiplatelet activity. Upon oral administration, the active metabolite of prasugrel targets and irreversibly binds to the platelet receptor for adenosine diphosphate (ADP), thereby blocking the binding of ADP to its receptor. This inhibits ADP-mediated activation of the glycoprotein complex GPIIb/IIIa, fibrinogen binding to platelets and platelet adhesion and aggregation. This results in increased bleeding time.
이름 및 식별자
- 우선 이름
- Prasugrel Hydrochloride
- IUPAC
- [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
- 현지명
- 프라수그렐염산염
- 영어명
- Prasugrel Hydrochloride
- 분자식
- C20H20FNO3S.ClH
- 분자량
- 409.907
이름 및 동의어
Prasugrel hydrochloride389574-19-0Prasugrel HClPrasu docEfientLY 640315DTXSID1049067HCl, PrasugrelLY640315G89JQ59I13Hydrochloride, PrasugrelDTXCID6028993
이름 더 보기
프라수그렐염산염Prasugrenhydrochloride2-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)ethanone hydrochlorideRidomil 72WPPrasugrel HCIUnii-G89jq59I13Effient HydrochloridePrasugrel hydrochloricPraugrel hydrochloride
747, CS640315, LY5-((1RS)-2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridin-2-yl acetate hydrochlorideRefChem:56601CHEBI:87697CS747EffientPrasugrel (hydrochloride)
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 74.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 555
실험 및 물리화학적 성질
Human Drugs
Breastfeeding; Lactation; Milk, Human; Platelet Aggregation Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 173 C · >173C (dec.)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 갈색까지
- 주요 응용
- 제약
- InChI
- InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H
- InChIKey
- JALHGCPDPSNJNY-UHFFFAOYSA-N
- SMILES
- N1(CCC2SC(OC(C)=O)=CC=2C1)C(C1C=CC=CC=1F)C(=O)C1CC1.Cl
화학적 성질
White to Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P319, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Prasugrel hydrochloride
vLess-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- WGK 2
- HS 번호
- 2934990002
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
PRASUGREL HYDROCHLORIDE
P2Y12 Receptor Antagonists [MoA]; Decreased Platelet Aggregation [PE]; P2Y12 Platelet Inhibitor [EPC]
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
개요Prasugrel hydrochloride (PCR 4099 hydrochloride), a thienopyridine and proagent, inhibits platelet function. Prasugrel hydrochloride is an orally active and potent P2Y12 receptor antagonist and inhibits ADP-induced platelet aggregation.
관련 반응
2건
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