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Search term: 14787404 (Found by CSID)
ChemSpider 2D Image | SYC-435 | C13H13NO2

SYC-435

  • Molecular FormulaC13H13NO2
  • Average mass215.248 Da
  • Monoisotopic mass215.094635 Da
  • ChemSpider ID14787404

More details:

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

2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-1-hydroxy-4-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
6-Benzyl-1-hydroxy-4-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
6-Benzyl-1-hydroxy-4-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
SYC-435
[50405-58-8] [RN]
1-hydroxy-4-methyl-6-(phenylmethyl)-2-(1H)pyridinone
1-hydroxy-4-methyl-6-benzyl-2(1H)-pyridone
50405-58-8 [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and benzyl groups, respectively. It is a potent inhibitor of mutant is ocitrate dehydrogenase 1 (Ki values of 190 nM against R132H mutant and 120 nM against R132C mutant). ChEBI CHEBI:189826

    • Bio Activity:

      Dehydrogenases Tocris Bioscience 5244
      Enzymes Tocris Bioscience 5244
      Other Dehydrogenases Tocris Bioscience 5244
      Selective mutant isocitrate dehydrogenase 1 (mIDH1) inhibitor (Ki = 120-190 nM). Displays >60-fold selectivity for mIDH1 (found in ~75% of gliomas) over wild type IDH1. Also inhibits D-2-hydroxyglutaric acid in cells expressing mIDH1 (EC50 = 2.4 ?M). Does not display cytotoxicity towards non-cancerous human cells. Phenotypically lethal. Tocris Bioscience 5244
      Selective mutant isocitrate dehydrogenase 1 (mIDH1) inhibitor (Ki = 120-190 nM). Displays >60-fold selectivity for mIDH1 (found in ~75% of gliomas) over wild type IDH1. Also inhibits D-2-hydroxyglutaric acid in cells expressing mIDH1 (EC50 = 2.4 muM). Does not display cytotoxicity towards non-cancerous human cells. Phenotypically lethal. Tocris Bioscience 5244
      Selective mutant isocitrate dehydrogenase 1 (mIDH1) inhibitor; phenotypically lethal Tocris Bioscience 5244

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 186.0±25.9 °C
Index of Refraction: 1.634
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 164.04
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.16
Polar Surface Area: 41 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 171.9±3.0 cm3

Click to predict properties on the Chemicalize site


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