1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-

HCID 5327686CAS 125313-92-0

기본 정보

표준 SMILES: Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21
InChIKey: OVSKGTONMLKNPZ-UHFFFAOYSA-N
분자식: C22H16N4O4
평균 분자량: 400.4 g/mol
단동위원소 질량: 400.11715499

개요

MKC-1 is an orally bioavailable, small-molecule, bisindolylmaleimide cell cycle inhibitor with potential antineoplastic activity. MKC-1 and its metabolites inhibit tubulin polymerization, blocking the formation of the mitotic spindle, which may result in cell cycle arrest at the G2/M phase and apoptosis. In addition, this agent has been shown to inhibit the activities of the oncogenic kinase Akt, the mTOR pathway, and importin-beta, a protein essential to the transport of other proteins from the cytosol into the nucleus.

이름 및 식별자

우선 이름: 1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
IUPAC: 3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dione
영어명: MKC-1
분자식: C22H16N4O4
분자량: 400.39

이름 및 동의어

1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-RefChem:819025MKC-1125313-92-03-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dioneRo-31-74533-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)pyrrole-2,5-dioneRo 31-7453MKC 1DNZ11VPY7QR 440; Ro 31-7453UNII-DNZ11VPY7Q

이름 더 보기

MKC-1, 10 mM in DMSO3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione , MKC-1inhibit,mTOR,Apoptosis,Protein kinase B,PKB,MKC 1,renal cell cancer,Caki-1,Mammalian target of Rapamycin,orally active,Microtubule/Tubulin,MKC-1,Akt,pancreatic cancer,Inhibitor,MKC1

3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-25-dioneBisindolylmaleimide deriv. 44m-kc1R 440MKC 1 [WHO-DD]CHEMBL52885SCHEMBL608128BDBM2622

데이터베이스 식별자

CAS: 125313-92-0
PubChem CID: 5327686
DTXSID: DTXSID60154735
ChEMBL: CHEMBL52885
UNII: DNZ11VPY7Q
Nikkaji: J443.028J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 102 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 30
형식 전하: 0
복잡도: 805

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 173 · 173-174 °C
끓는 점: 714.5 · 714.5±60.0 °C(Predicted)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
물리적 상태: Solid
산도 계수 (pKa): 7.71 · 7.71±0.60(Predicted)
색상: Orange to red

화학 및 산업

공급사18 곳

United Life Science020-82099279 18988941402 · [email protected]

銳迪國際科技有限公司18024082417 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

연결된 노트

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