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

Grundinformationen

Standard-SMILES
Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21
InChIKey
OVSKGTONMLKNPZ-UHFFFAOYSA-N
Summenformel
C22H16N4O4
Durchschnittliche Molmasse
400,4 g/mol
Monoisotopische Masse
400,11715499

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
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
Englischer Name
MKC-1
Summenformel
C22H16N4O4
Molmasse
400.39

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
102 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
30

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt
173 · 173-174 °C
Siedepunkt
714.5 · 714.5±60.0 °C(Predicted)
Dichte
1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
Aggregatzustand
Solid
pka
7.71 · 7.71±0.60(Predicted)

Chemie und Industrie

Anbieter18 Anbieter

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]

Zugehörige Reaktionen

4

Verknüpfte Notizen

Wird geladen…