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Enzastaurin Hydrochloride

HCID 176166
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
359017-79-1
표준 SMILES
Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
UUADYKVKJIMIPA-UHFFFAOYSA-N
분자식
C32H30ClN5O2
평균 분자량
552.1 g/mol
단동위원소 질량
551.2088029

개요

Enzastaurin Hydrochloride is the hydrochloride salt of enzastaurin, a synthetic macrocyclic bisindolemaleimide with potential antineoplastic activity. Binding to the ATP-binding site, enzastaurin selectively inhibits protein kinase C beta, an enzyme involved in the induction of vascular endothelial growth factor (VEGF)-stimulated neo-angiogenesis. This agent may decrease tumor blood supply and so tumor burden.

이름 및 식별자

우선 이름
Enzastaurin Hydrochloride
IUPAC
3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione;hydrochloride
영어명
Unii-kx7K68Z2uh
분자식
C32H29N5O2.ClH
분자량
552.075

이름 및 동의어

Enzastaurin Hydrochloride359017-79-1Enzastaurin hclEnzastaurin Hydrochloride [USAN]KX7K68Z2UHEnzastaurin monohydrochlorideLY317615 HYDROCHLORIDELY-317615 HYDROCHLORIDEDTXSID70189477ENZASTAURIN HYDROCHLORIDE [MI]ENZASTAURIN HYDROCHLORIDE [JAN]1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-, monohydrochloride
이름 더 보기
Ly317615.HClUnii-kx7K68Z2uh3-(1-Methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylMethyl)piperidin-4-yl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione hydrochloride (1:1)1H-Pyrrole-2,5-dione,3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylMethyl)-4-piperidinyl]-1H-indol-3-yl]-,hydrochloride (1:1)
3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione monohydrochlorideENZASTAURIN HYDROCHLORIDE [MART.]ENZASTAURIN MONOHYDROCHLORIDE [WHO-DD]ENZASTAURIN HYDROCHLORIDE (MART.)3-(1-METHYL-1H-INDOL-3-YL)-4-(1-(1-(2-PYRIDINYLMETHYL)-4-PIPERIDINYL)-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE HYDROCHLORIDE3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione Dihydrochloride3-(1-Methyl-1H-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1H-indol-3-yl)pyrrole-2,5-dione monohydrochloride3-(1-Methyl-1H-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-indol-3-yl]-1H-pyrrole-2,5-dione Dihydrochloride

물성

구조 계산 물성

극성 표면적
72.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
40
형식 전하
0
복잡도
974

화학 및 산업

응용 분야

용도(Antineoplastic (protein kinase C inhibitor)ICNI) name for enzacamene is 4-methylbenzylidene.

공급사2 곳

上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

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데이터베이스 식별자

CAS
359017-79-1
PubChem CID
176166
DTXSID
DTXSID70189477
ChEMBL
CHEMBL2107337
UNII
KX7K68Z2UH