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

基本情報

標準SMILES: Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21
InChIKey: OVSKGTONMLKNPZ-UHFFFAOYSA-N
分子式: C22H16N4O4
平均分子量: 400.4 g/mol
単同位体質量: 400.11715499

概要

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.

名称と識別子

優先名称: 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
英語名: MKC-1
分子式: C22H16N4O4
分子量: 400.39

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 102 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 30
形式電荷: 0
複雑度: 805

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

融点: 173 · 173-174 °C
沸点: 714.5 · 714.5±60.0 °C(Predicted)
比重(密度): 1.49 · 1.49±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
外見: Solid
酸解離定数(Pka): 7.71 · 7.71±0.60(Predicted)
色: Orange to red

化学と産業

サプライヤー18 社

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]