ChemSpider 2D Image | 3-({5-Fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzenesulfonamide | C15H15FN6O2S2


  • Molecular FormulaC15H15FN6O2S2
  • Average mass394.447 Da
  • Monoisotopic mass394.068207 Da
  • ChemSpider ID29407664

More details:

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

3-({5-Fluor-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
3-({5-Fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzenesulfonamide [ACD/IUPAC Name]
3-({5-Fluoro-4-[4-méthyl-2-(méthylamino)-1,3-thiazol-5-yl]-2-pyrimidinyl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[5-fluoro-4-[4-methyl-2-(methylamino)-5-thiazolyl]-2-pyrimidinyl]amino]- [ACD/Index Name]
1392429-79-6 [RN]
1421693-22-2 [RN]
BI 882370
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      CDK MedChem Express HY-12445
      CDKI-73 is a potent CDK9 inhibitor with Ki of 4 nM; shows selective toxicity to CLL cells(LD50=80 nM) versus normal B cell and normal CD34+ cell(LD50>20 uM).; IC50 value: 4 nM/80 nM(Ki/LD50) [1]; Target: CDK9 inhibitor; in vitro: CDKI-73 was cytotoxic to all of the CLL samples tested (n = 38) with a mean LD50 value of 0.08?M ? 0.10 ?M following exposure to drug for 48h. MedChem Express HY-12445
      Cell Cycle/DNA Damage MedChem Express HY-12445
      Cell Cycle/DNA Damage; MedChem Express HY-12445

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 164.50
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.75
ACD/KOC (pH 7.4): 164.28
Polar Surface Area: 160 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 258.8±3.0 cm3

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