ChemSpider 2D Image | FRAX597 | C29H28ClN7OS

FRAX597

  • Molecular FormulaC29H28ClN7OS
  • Average mass558.097 Da
  • Monoisotopic mass557.176453 Da
  • ChemSpider ID29763387

More details:

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

1286739-19-2 [RN]
6-[2-Chlor-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-on [German] [ACD/IUPAC Name]
6-[2-Chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
6-[2-Chloro-4-(1,3-thiazol-5-yl)phényl]-8-éthyl-2-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FRAX597
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-[2-chloro-4-(5-thiazolyl)phenyl]-8-ethyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]- [ACD/Index Name]
[1286739-19-2] [RN]
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
6-[2-chloro-4-(5-thiazolyl)phenyl]-8-ethyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-pyrido[2,3-d]pyrimidin-7(8H)-one
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15542A
      Cell Cycle/DNA Damage; MedChem Express HY-15542A
      Enzymes Tocris Bioscience 6029
      FRAX597, a small-molecule pyridopyrimidinone, is a potent and ATP competitive inhibitor of the group I PAKs (PAK1 IC50= 8 nM, PAK2 IC50= 13 nM, PAK3 IC50= 19 nM).; IC50 value: 8/13/19 nM for PAK1/2/3 [1]; Target: PAK1; PAK2; PAK3; in vitro: FRAX597 was determined to be a potent, ATP competitive inhibitor of group I PAKs (PAK 1-3)?with biochemical IC50 values as follows: PAK1 IC50 = 8 nM , PAK2 IC50 = 13 nM, PAK3 IC50= 19 nM.The IC50 towards PAK4, a member of group II PAKs was >10mM. MedChem Express HY-15542A
      Kinases Tocris Bioscience 6029
      P21-activated Kinases Tocris Bioscience 6029
      p21-activated Kinases (PAKs) MedChem Express HY-15542A
      Potent group I PAK inhibitor Tocris Bioscience 6029
      Potent group I PAK inhibitor (IC50 values are 8, 13 and 19 nM for PAK1, 2 and 3, respectively). Exhibits significant inhibition of YES1, RET, CSF1R and TEK at 100 nM, but is inactive against group II PAK isoforms (IC50 >10 ?M for PAK4). Inhibits proliferation of pancreatic cancer and schwannoma cells in vitro and exhibits antitumor effects in mice. Tocris Bioscience 6029
      Potent group I PAK inhibitor (IC50 values are 8, 13 and 19 nM for PAK1, 2 and 3, respectively). Exhibits significant inhibition of YES1, RET, CSF1R and TEK at 100 nM, but is inactive against group II PAK isoforms (IC50 >10 muM for PAK4). Inhibits proliferation of pancreatic cancer and schwannoma cells in vitro and exhibits antitumor effects in mice. Tocris Bioscience 6029

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 28.73
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 286.80
ACD/KOC (pH 7.4): 1440.45
Polar Surface Area: 106 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

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