기본 정보
- CAS
677007-74-8- 표준 SMILES
O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)/C=C\C(=O)O- InChIKey
MISPBGHDNZYFNM-BTJKTKAUSA-N- 분자식
- C33H38Cl2N6O7S2
- 평균 분자량
- 765.7 g/mol
- 단동위원소 질량
- 764.1620453
개요
Avatrombopag Maleate is the maleate salt form of avatrombopag, an orally available platelet thrombopoietin receptor (TPOR; MPL) agonist, with potential megakaryopoiesis stimulating activity. Upon administration, avatrombopag binds to and stimulates TPOR, which may lead to the proliferation and differentiation of megakaryocytes from bone marrow progenitor cells. This increases the production of platelets and may prevent chemotherapy-induced thrombocytopenia (CIT). TPOR is a cytokine receptor and member of the hematopoietin receptor superfamily.
이름 및 식별자
- 우선 이름
- Avatrombopag Maleate
- IUPAC
- (Z)-but-2-enedioic acid;1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
- 영어명
- Avatrombopag maleate
- 분자식
- C33H38Cl2N6O7S2
- 분자량
- 765.72
이름 및 동의어
Avatrombopag maleate677007-74-8E5501 MALEATEUNII-GDW7M2P1ISGDW7M2P1ISE-5501 MALEATE4-Piperidinecarboxylic Acid, 1-(3-Chloro-5-(((4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl)amino)carbonyl)-2-pyridinyl)-, (2Z)-2-butenedioate (1:1)4-Piperidinecarboxylic acid, 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]-, (2Z)-2-butenedioate (1:1)RefChem:577771-(3-Chloro-5-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid monomaleate1-(3-Chloro-5-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid mono-(2Z)-but-2-enedioateAvatrombopag (maleate)
이름 더 보기
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid677007-74-8 (MALEATE) 570406-98-3 (FREE BASE)Avatrombopag maleate，677007-74-8(MALEATE)570406-98-3(FREEBASE)
물성
구조 계산 물성
- 극성 표면적
- 233 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,050
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- MISPBGHDNZYFNM-BTJKTKAUSA-N
- SMILES
- C(/C(=O)O)=C/C(=O)O.N(C1SC(N2CCN(C3CCCCC3)CC2)=C(C2SC=C(Cl)C=2)N=1)C(C1=CN=C(N2CCC(C(=O)O)CC2)C(Cl)=C1)=O
화학적 성질
Avatrombopag maleate drug substance is a white to off-white, non-hygroscopic, powder that is practically insoluble in water and in 0.1 M HCl. The aqueous solubility of avatrombopag maleate at various pH levels indicates that the drug substance is practically insoluble at pH 1 to 11. Avatrombopag maleate drug substance is an achiral molecule.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSTOT RE 2 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Avatrombopag maleate
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
응용 분야
개요Avatrombopag maleate is a thrombopoietin receptor (TPO) agonist developed by AkaRx Inc and approved by the US FDA in May 2018 as Doptelet (20mg). For the treatment of low platelet count (thrombocytopenia CIT) in adult patients with chronic liver disease (CLD) who are scheduled to undergo medical or dental surgery.
용도Avatrombopag Maleate is the maleate salt form of avatrombopag, an orally available platelet thrombopoietin receptor (TPOR; MPL) agonist, with potential megakaryopoiesis stimulating activity.
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