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
- Formalladung
- 0
- Komplexität
- 805
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)
- Farbe
- Orange to red
Chemie und Industrie
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