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Ethyl (2E)-3-[2,6-dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-2-propenoate

HCID 59544893
노트반응
기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1110768-00-7
표준 SMILES
CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)OCC)c(Cl)c3)n2)c1OC
InChIKey
FDMQKVKNJMQEGF-ZAQQZEBGSA-N
분자식
C31H36Cl2N2O5S
평균 분자량
619.6 g/mol
단동위원소 질량
618.1721988

이름 및 식별자

우선 이름
Ethyl (2E)-3-[2,6-dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-2-propenoate
IUPAC
ethyl (E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoate
영어명
Lusutrombopag
분자식
C31H36Cl2N2O5S
분자량
619.6

이름 및 동의어

1110768-00-7Ethyl (2E)-3-[2,6-dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-2-propenoateEthyl (2E)-3-(2,6-dichloro-4-(((4-(3-((1S)-1-(hexyloxy)ethyl)-2-methoxyphenyl)-2-thiazolyl)amino)carbonyl)phenyl)-2-methyl-2-propenoateRefChem:341680(S,E)-Ethyl 3-(2,6-dichloro-4-((4-(3-(1-(hexyloxy)ethyl)-2-methoxyphenyl)thiazol-2-yl)carbamoyl)phenyl)-2-methylacrylateSCHEMBL13091557DTXSID601101776ethyl (S,E)-3-(2,6-dichloro-4-((4-(3-(1-(hexyloxy)ethyl)-2-methoxyphenyl)thiazol-2-yl)carbamoyl)phenyl)-2-methylacrylateLusutrombopagRutroppa Impurity 10.Lusutrombopag Impurity 6Lusutrombopag Impurity 39
이름 더 보기
(S,E)-3-(2,6-dichloro-4-((4-(3-(1-(hexyloxy)ethyl)-2-methoxyphenyl)thiazol-2-yl)carbamoyl)phenyl)-2-methylacrylic acidethyl (S)-(E)-3-(2,6-dichloro-4-{4-[2-methyloxy-3-(1-hexyloxyethyl)phenyl]thiazol-2-ylcarbamoyl}phenyl)-2-methylacrylate(S)-ethyl 3-(2,6-dichloro-4-((4-(3-(1-(hexyloxy)ethyl)-2-methoxyphenyl)thiazol-2-yl)carbamoyl)phenyl)-2-methylacrylate(WXG02540)

물성

구조 계산 물성

XLogP
8.4
극성 표면적
115 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
15
무거운 원자 수
41
형식 전하
0
복잡도
852

물리화학적 성질

녹는점
184 · 184 - 186°C
밀도
1.246 · 1.246±0.06 g/cm3(Predicted)
저장 조건
Refrigerator, under inert atmosphere
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
6.3 · 6.30±0.50(Predicted)
색상
화이트 미색

화학 및 산업

응용 분야 · 1건

개요Lusutrombopag is an orally bioavailable thrombopoietin (TPO) receptor agonist developed by Shionogi for improvement of thrombocytopenia associated with chronic liver disease in patients undergoing an elective invasive procedure (e.g., liver biopsy, liver transplantation). Thrombocytopenia, which is common among patients with chronic liver disease, increases the risk of bleeding when undergoing invasive procedures, which in turn complicates therapy and increases the risk of mortality. Lusutrombopag, which was approved in Japan in September 2015, promotes platelet production by stimulating the proliferation and differentiation of human bone marrow progenitor cells into megakaryocytes via the thrombopoietic pathway. The consequent increase in platelet levels avoids postponement of invasive procedures or transfusion of platelets and administration of platelet products, the current standard of care for thrombocytopenia in these patients.

공급사28 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
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Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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2-Propenoic acid, 3-[2,6-dichloro-4-[[[4-[3-[(1S)-1-(hexyloxy)ethyl]-2-methoxyphenyl]-2-thiazolyl]amino]carbonyl]phenyl]-2-methyl-, ethyl ester, (2E)-

데이터베이스 식별자

CAS
1110768-00-7
PubChem CID
59544893
DTXSID
DTXSID601101776
深圳摩科生化科技有限公司18627923403 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
东营四方利通新材料有限公司13589435123 17861826421 · [email protected]
滁州市科迈尔化工科技有限公司0550-5196001 15000891977 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
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青岛永和丰经贸有限公司+86-13375559818 · [email protected]
Qingdao Minzhi Yijie new material Co., LTD+86-13589435123 · [email protected]
广东沣康合成化学科技有限公司15953196022 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]