ChemSpider 2D Image | INDY | C12H13NO2S

INDY

  • Molecular FormulaC12H13NO2S
  • Average mass235.302 Da
  • Monoisotopic mass235.066696 Da
  • ChemSpider ID25056590

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-(3-Ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-yliden)aceton [German] [ACD/IUPAC Name]
(1Z)-1-(3-Ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)acetone [ACD/IUPAC Name]
(1Z)-1-(3-Éthyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidène)acétone [French] [ACD/IUPAC Name]
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
1169755-45-6 [RN]
2-Propanone, 1-(3-ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-, (1Z)- [ACD/Index Name]
INDY
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
(1Z)-1-(3-ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanone
[1169755-45-6] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively). ChEBI CHEBI:195332

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB2204
      Cell process/Stem cells/Proliferation Hello Bio HB2204
      DYRK Tocris Bioscience 4997
      DYRK1A/B inhibitor Tocris Bioscience 4997
      DYRK1A/B inhibitor (IC50 values are 0.23 and 0.24 muM, for DYRK1B and DYRKA respectively). Binds at the ATP-binding cleft of the enzyme. Reverses aberrant tau-phosphorylation and rescues repressed calcineurin/NFAT signaling. Impairs the self-renewal capacity of subventricular zone neural stem cells. Also available as a prodrug, proINDY (Cat. No. 4998). Tocris Bioscience 4997
      Dyrk1A/B inhibitor. Impairs NSCs self-renewal. Hello Bio HB2204
      Enzymes Tocris Bioscience 4997
      Enzymes/Kinase/DYRK Hello Bio HB2204
      Kinases Tocris Bioscience 4997

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 409.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 201.3±28.7 °C
Index of Refraction: 1.696
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.74
ACD/KOC (pH 5.5): 190.42
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.65
ACD/KOC (pH 7.4): 188.72
Polar Surface Area: 66 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 175.9±3.0 cm3

Click to predict properties on the Chemicalize site


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