ChemSpider 2D Image | AGI-5198 | C27H31FN4O2

AGI-5198

  • Molecular FormulaC27H31FN4O2
  • Average mass462.559 Da
  • Monoisotopic mass462.243103 Da
  • ChemSpider ID28666127

More details:






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

1355326-35-0 [RN]
1H-Imidazole-1-acetamide, N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-methyl- [ACD/Index Name]
AGI-5198
N-[2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(2-méthylphényl)-2-oxoéthyl]-N-(3-fluorophényl)-2-(2-méthyl-1H-imidazol-1-yl)acétamide [French] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorphenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamid [German] [ACD/IUPAC Name]
[1355326-35-0]
4,4-Methylenebis(2-Ethyl-6-Methylaniline)
AGI 5198
AGI5198
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2122
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2122
      no pictogram Axon Medchem 2122
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2122
      Warning Axon Medchem 2122
    • Target Organs:

      Dehydrogenase inhibitor TargetMol T2104
    • Bio Activity:

      AGI-5198(IDH C35) is a novel R132H-IDH1 inhibitor, identified through a high-throughput screen blocked R132H-IDH1 activity in a dose-dependent manner. MedChem Express
      AGI-5198(IDH C35) is a novel R132H-IDH1 inhibitor, identified through a high-throughput screen blocked R132H-IDH1 activity in a dose-dependent manner.; IC50 Value: ; The ability of the mutant enzyme (mIDH1) to produce R-2-hydroxyglutarate (R-2HG). MedChem Express HY-18082
      AGI-5198(IDH C35) is a novel R132H-IDH1 inhibitor, identified through a high-throughput screen blocked R132H-IDH1 activity in a dose-dependent manner.;IC50 Value: ;The ability of the mutant enzyme (mIDH1) to produce R-2-hydroxyglutarate (R-2HG). The recent discovery of mutations in metabolic enzymes has rekindled interest in harnessing the altered metabolism of cancer cells for cancer therapy. Isocitrate dehydrogenase 1 (IDH1) is one potential drug target, which is mutated in multiple human cancers [1]. MedChem Express HY-18082
      Isocitrate Dehydrogenase (IDH) MedChem Express HY-18082
      Metabolism TargetMol T2104
      Metabolism/Protease MedChem Express HY-18082
      Metabolism/Protease; MedChem Express HY-18082
      R132H-IDH1, R132C-IDH1 TargetMol T2104

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 50.19
ACD/KOC (pH 5.5): 270.78
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 602.69
ACD/KOC (pH 7.4): 3251.27
Polar Surface Area: 67 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 379.5±7.0 cm3

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