ChemSpider 2D Image | MFCD02683594 | C16H11N3O2

MFCD02683594

  • Molecular FormulaC16H11N3O2
  • Average mass277.277 Da
  • Monoisotopic mass277.085114 Da
  • ChemSpider ID21105558
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z)-3-[(3E)-3-(Hydroxyimino)-1,3-dihydro-2H-indol-2-yliden]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-3-[(3E)-3-(Hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-3-[(3E)-3-(Hydroxyimino)-1,3-dihydro-2H-indol-2-ylidène]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
160807-49-8 [RN]
2H-Indol-2-one, 3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)- [ACD/Index Name]
Indirubin-3'-monoxime
Indirubin-3'-oxime
MFCD02683594
(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I0404_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. ChEBI CHEBI:43645, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43645
    • Bio Activity:

      Enzymes Tocris Bioscience 1813
      Glycogen Synthase Kinase 3 Tocris Bioscience 1813
      GSK-3? inhibitor. Also inhibits other protein kinases Tocris Bioscience 1813
      GSK-3beta inhibitor. Also inhibits other protein kinases Tocris Bioscience 1813
      Kinases Tocris Bioscience 1813
      Protein kinase inhibitor; inhibits cyclin-dependent kinases (IC50 = 0.18 - 3.33 ?M) and GSK-3? (IC50 = 0.19 ?M). Inhibits CDK5- and GSK-3?-mediated tau phosphorylation, a process over-active in Alzhei mer disease states. Also inhibits AMPK, LCK and SGK. Induces cell cycle arrest and inhibits cell proliferation. Tocris Bioscience 1813
      Protein kinase inhibitor; inhibits cyclin-dependent kinases (IC50 = 0.18 - 3.33 ?M) and GSK-3? (IC50 = 0.19 ?M). Inhibits CDK5- and GSK-3?-mediated tau phosphorylation, a process over-active in Alzheimer disease states. Also inhibits AMPK, LCK and SGK. Induces cell cycle arrest and inhibits cell proliferation. Tocris Bioscience 1813
      Protein kinase inhibitor; inhibits cyclin-dependent kinases (IC50 = 0.18 - 3.33 muM) and GSK-3beta (IC50 = 0.19 muM). Inhibits CDK5- and GSK-3beta-mediated tau phosphorylation, a process over-active in Alzheimer disease states. Also inhibits AMPK, LCK and SGK. Induces cell cycle arrest and inhibits cell proliferation. Tocris Bioscience 1813

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 532.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.772
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.06
ACD/KOC (pH 5.5): 339.15
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.05
ACD/KOC (pH 7.4): 338.93
Polar Surface Area: 74 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

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