ChemSpider 2D Image | BIO | C16H10BrN3O2

BIO

  • Molecular FormulaC16H10BrN3O2
  • Average mass356.173 Da
  • Monoisotopic mass354.995636 Da
  • ChemSpider ID21171550
  • Double-bond stereo - Double-bond stereo


More details:






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

(2'Z,3'E)-6-Bromoindirubin-3'-oxime
(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
(3Z)-6-Brom-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-yliden]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3Z)-6-Bromo-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3Z)-6-Bromo-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidène]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 6-bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-, (3Z)- [ACD/Index Name]
667463-62-9 [RN]
6BIO
6-BIO
6-Bromoindirubin-3'-oxime
More...

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

B1686_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1693
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1693
      no pictogram Axon Medchem 1693
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1693
      Warning Axon Medchem 1693
    • Chemical Class:

      A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the cor responding oxime. ChEBI CHEBI:86290, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86290
    • Bio Activity:

      6-BIO(6-Bromoindirubin-3'-oxime) is a potent and selective; inhibitor of GSK-3 and CDK1?cyclinB complex with IC50 of 5 nM /320 nM/83 nM for GSK-3??/CDK1/CDK5 respectively.; IC50 value: 5 nM(GSK-3?/?); 20 nM(CDK1-cyclinB) [1][2]; Target: CDK1-cyclinB/GSK-3 inhibitor MedChem Express HY-10580
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB1259]
      CDK MedChem Express HY-10580
      CDK GSK-3 MedChem Express HY-10580
      Cell Cycle/DNA Damage MedChem Express HY-10580
      Cell Cycle/DNA Damage; PI3K/Akt/mTOR; MedChem Express HY-10580
      Cell process/Stem cells/Proliferation Hello Bio [HB1259]
      Cell process/Stem cells/Stem cell signaling Hello Bio [HB1259]
      Enzymes Tocris Bioscience 3194
      Enzymes/Kinase/GSK-3 Hello Bio [HB1259]
      Glycogen Synthase Kinase 3 Tocris Bioscience 3194
      Kinases Tocris Bioscience 3194
      Potent and selective, ATP-competitive glycogen synthase kinase-3 (GSK-3) inhibitor (IC50 values are 5, 83, 300, 320 and > 10 000 nM at GSK-3, CDK5/p25, CDK2/cyclin A, CDK1/cyclin B and other common ki nases respectively). Maintains self-renewal and pluripotency in embryonic stem cells via activation of the Wnt signaling pathway in vitro; also promotes proliferation and dedifferentiation in cardiomy ocytes. Negative control available (Cat. No. 3873). Tocris Bioscience 3194
      Potent and selective, ATP-competitive glycogen synthase kinase-3 (GSK-3) inhibitor (IC50 values are 5, 83, 300, 320 and > 10 000 nM at GSK-3, CDK5/p25, CDK2/cyclin A, CDK1/cyclin B and other common kinases respectively). Maintains self-renewal and pluripotency in embryonic stem cells via activation of the Wnt signaling pathway in vitro; also promotes proliferation and dedifferentiation in cardiomyocytes. Negative Control also available. Tocris Bioscience 3194
      Potent and selective, ATP-competitive glycogen synthase kinase-3 (GSK-3) inhibitor (IC50 values are 5, 83, 300, 320 and > 10 000 nM at GSK-3, CDK5/p25, CDK2/cyclin A, CDK1/cyclin B and other common kinases respectively). Maintains self-renewal and pluripotency in embryonic stem cells via activation of the Wnt signaling pathway in vitro; also promotes proliferation and dedifferentiation in cardiomyocytes. Negative control available (Cat. No. 3873). Tocris Bioscience 3194
      Potent GSK-3&alpha;/&beta; inhibitor (IC<sub>50</sub> = 5 nM). Exhibits reduced activity at CDK1/cyclin B, CDK2/cyclinA, CDK4/cyclin D1, CDK5/p35, MAPKK andPKC-subunit &alpha; (IC<sub>50</sub> values are 0.32, 0.30, 10, 0.08, 10 and 12 &mu;M respectively). Induces &beta;-catenin stabilisation and protects hippocampal neurons from A&beta; oligomer damage. Also inhibits Tyr276/216 phosphorylation and reduces &beta;-catenin phosphorylation. Cell permeable. Maintains embryonic stem cell self-renewal and pluripotency and displays proliferation enhancing properties. Hello Bio [HB1259]
      Potent GSK-3&alpha;/&beta; inhibitor. Maintains ESC self-renewal and pluripotency. Hello Bio [HB1259]
      Potent, selective GSK-3 inhibitor Tocris Bioscience 3194

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

Density: 1.8±0.1 g/cm3
Boiling Point: 554.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.802
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.73
ACD/KOC (pH 5.5): 945.07
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.97
ACD/KOC (pH 7.4): 937.93
Polar Surface Area: 74 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 197.4±7.0 cm3

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