ChemSpider 2D Image | FRAX486 | C25H23Cl2FN6O

FRAX486

  • Molecular FormulaC25H23Cl2FN6O
  • Average mass513.394 Da
  • Monoisotopic mass512.129456 Da
  • ChemSpider ID30687748

More details:






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

1232030-35-1 [RN]
6-(2,4-Dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(1-piperazinyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
6-(2,4-Dichlorophényl)-8-éthyl-2-{[3-fluoro-4-(1-pipérazinyl)phényl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
6-(2,4-Dichlorphenyl)-8-ethyl-2-{[3-fluor-4-(1-piperazinyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-on [German] [ACD/IUPAC Name]
FRAX486
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,4-dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]amino]- [ACD/Index Name]
[1232030-35-1]
3-Chloro-5-(trifluoromethyl)pyridine-2-carbaldehyde
6-(2,4-Dichlorophenyl)-8-ethyl-2-(3-fluoro-4-(piperazin-1-yl)phenylamino)pyrido[2,3-d] pyrimidin-7(8H)-one
6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-(piperazin-1-yl)phenylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2331
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2331
      no pictogram Axon Medchem 2331
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2331
      Warning Axon Medchem 2331
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15542B
      Cell Cycle/DNA Damage; MedChem Express HY-15542B
      Enzymes Tocris Bioscience 5190
      FRAX486 is a selective inhibitor of group I PAKs with IC50s of 8.25/39.5, /55.3 nM for PAK1/PAK2/PAK3 respectivelt; less potent for PAK4(IC50=779 nM). MedChem Express
      FRAX486 is a selective inhibitor of group I PAKs with IC50s of 8.25/39.5, /55.3 nM for PAK1/PAK2/PAK3 respectivelt; less potent for PAK4(IC50=779 nM).; IC50 value: 8.25/39.5, /55.3 nM(PAK1/PAK2/PAK3) [1] ; Target: PAKs inhibitor; in vitro: FRAX486 is an inhibitor of PAK, with excellent selectivity for group I over group II PAKs [1]. MedChem Express HY-15542B
      FRAX486 is a selective inhibitor of group I PAKs with IC50s of 8.25/39.5, /55.3 nM for PAK1/PAK2/PAK3 respectivelt; less potent for PAK4(IC50=779 nM).;IC50 value: 8.25/39.5, /55.3 nM(PAK1/PAK2/PAK3) [1] ;Target: PAKs inhibitor;In vitro: FRAX486 is an inhibitor of PAK, with excellent selectivity for group I over group II PAKs [1]. Different from W-7 and KN-62, FRAX355 and FRAX486 did not completely block the NMDA-R activation-mediated spine enlargement in the presence of control RNAi, suggesting that these FRAX compounds act less aversely to the synaptic plasticity [2].;In vivo: Mice were administered FRAX486 at a concentration of 20 mg/kg, and brain tissue was collected 8 h after drug treatment. Indeed, the phenotype was rescued by treatment with FRAX486 8 h after a single treatment because spine density was decreased to levels similar to WT mice but significantly lower than untreated Fmr1 KO mice. FRAX486 also decreased spine density in Fmr1 KO mice in the neighboring segment. F MedChem Express HY-15542B
      Kinases Tocris Bioscience 5190
      P21-activated Kinases Tocris Bioscience 5190
      p21-activated Kinases (PAKs) MedChem Express HY-15542B
      Potent p21-activated kinase (PAK) inhibitor (IC50 values are 14, 33, 39 and 575 nM for PAK1, PAK2, PAK3 and PAK4 respectively). Blocks and reverses the DISC1 knockdown-induced reduction in dendritic s pine size in cortical neurons. Attenuates dendritic spine elimination and enhances spine generation in DISC1 knockdown mice. Ameliorates autism-like behavioral symptoms in fragile X mental retardation 1 (Fmr1) knockout mice. Brain penetrant and orally bioavailable. Tocris Bioscience 5190
      Potent p21-activated kinase (PAK) inhibitor (IC50 values are 14, 33, 39 and 575 nM for PAK1, PAK2, PAK3 and PAK4 respectively). Blocks and reverses the DISC1 knockdown-induced reduction in dendritic spine size in cortical neurons. Attenuates dendritic spine elimination and enhances spine generation in DISC1 knockdown mice. Ameliorates autism-like behavioral symptoms in fragile X mental retardation 1 (Fmr1) knockout mice. Brain penetrant and orally bioavailable. Tocris Bioscience 5190
      Potent p21-activated kinase (PAK) inhibitor; brain penetrant and orally bioavailable Tocris Bioscience 5190
      Potent PAK inhibitor; brain penetrant and orally bioavailable Tocris Bioscience 5190

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.0±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 6.15
ACD/KOC (pH 5.5): 21.02
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 253.63
ACD/KOC (pH 7.4): 866.48
Polar Surface Area: 73 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 365.8±3.0 cm3

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