RO31-8220메탄설폰산염

Bisindolylmaleimide IX

HCID 5083CAS 125314-64-9

기본 정보

표준 SMILES: Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey: DSXXEELGXBCYNQ-UHFFFAOYSA-N
분자식: C25H23N5O2S
평균 분자량: 457.5 g/mol
단동위원소 질량: 457.15724598

개요

Ro 31-8220 is a member of indoles, an imidothiocarbamic ester and a member of maleimides. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It is functionally related to a maleimide.

이름 및 식별자

우선 이름: Bisindolylmaleimide IX
IUPAC: 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
현지명: RO31-8220메탄설폰산염
영어명: Ro 31-8220 methanesulfonate
분자식: C25H23N5O2S
분자량: 457.55

이름 및 동의어

bisindolylmaleimide IXro 31-8220125314-64-9Ro 31 8220Ro 318220W9A0B5E78O3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl carbamimidothioateCHEBI:38912Carbamimidothioic acid, 3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl esterBis IX3-(3-(4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-yl)-1h-indol-1-yl)propyl carbamimidothioateRefChem:917327

이름 더 보기

RO31-8220메탄설폰산염RO 31-8220 MESYLATEBisindoylmaleimidine IXRo 31-8220 methanesulfonateRo 31-8220 methanesulfonate saltBISINDOYLMALEIMIDINE IX METHANESULFONATERo 31-8220 mesylate (Bisindolylmaleimide IX)3-[1-3-(AMIDINOTHIO)PROPYL-1H-INDOL-3-YL]-3-(1-METHYL-1H-INDOL-3-YL) MALEIMIDE

Bisindolylmaleimide IX MethanesulfonateRo31-8220Ro-318220Ro-31-82203-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioateCHEMBL6291Ro 31-8220 (mesylate)3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl imidothiocarbamate

데이터베이스 식별자

CAS: 125314-64-9
PubChem CID: 5083
DTXSID: DTXSID20154736
ChEMBL: CHEMBL1591531、CHEMBL6291
ChEBI: CHEBI:38912
UNII: W9A0B5E78O
Nikkaji: J468.443E

물성

구조 계산 물성

XLogP: 3
극성 표면적: 131 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 33
형식 전하: 0
복잡도: 845

물리화학적 성질

밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 7.3 mg/mL
물리적 상태: 고체
산도 계수 (pKa): 7.9 · 7.90±0.60(Predicted)
색상: 주황색에서 빨간색으로

안전 및 규제

안전 데이터

wgk: 3
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

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.

공급사24 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

上海波以尔化工有限公司[email protected]

InvivoChem中国13549236410 · [email protected]

MedBio脉铂医药021-69568360 18916172912 · [email protected]

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