ChemSpider 2D Image | AST-487 | C26H30F3N7O2

AST-487

  • Molecular FormulaC26H30F3N7O2
  • Average mass529.557 Da
  • Monoisotopic mass529.241333 Da
  • ChemSpider ID9584867

More details:

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

1-{4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-3-(4-{[6-(methylamino)-4-pyrimidinyl]oxy}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-{4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-(4-{[6-(methylamino)-4-pyrimidinyl]oxy}phenyl)urea [ACD/IUPAC Name]
1-{4-[(4-Éthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-3-(4-{[6-(méthylamino)-4-pyrimidinyl]oxy}phényl)urée [French] [ACD/IUPAC Name]
1-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}-3-(4-{[6-(METHYLAMINO)PYRIMIDIN-4-YL]OXY}PHENYL)UREA
630124-46-8 [RN]
AST-487
Urea, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]- [ACD/Index Name]
W34UO2M4T6
[630124-46-8] [RN]
1-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)urea
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AST487(NVP-AST487) is a Ret kinase inhibitor/FLT3 inhibitor with IC50 of 0.88 uM for Ret. MedChem Express
      AST487(NVP-AST487) is a Ret kinase inhibitor/FLT3 inhibitor with IC50 of 0.88 uM for Ret.; IC50 value: 0.88 uM; Target: Ret/FLT3; AST 487 displays high selectivity and potency toward FLT3 as a molecular target, and which could potentially be used to override drug resistance in AML. MedChem Express HY-15002
      AST487(NVP-AST487) is a Ret kinase inhibitor/FLT3 inhibitor with IC50 of 0.88 uM for Ret.;IC50 value: 0.88 uM;Target: Ret/FLT3AST 487 displays high selectivity and potency toward FLT3 as a molecular target, and which could potentially be used to override drug resistance in AML. NVP-AST487 has an IC(50) of 0.88 mumol/L on RET kinase, inhibits RET autophosphorylation and activation of downstream effectors, and potently inhibited the growth of human thyroid cancer cell lines with activating mutations of RET but not of lines without RET mutations. NVP-AST487 induced a dose-dependent growth inhibition of xenografts of NIH3T3 cells expressing oncogenic RET, and of the MTC cell line TT in nude mice. NVP-AST487 inhibited calcitonin gene expression in vitro in TT cells, in part, through decreased gene transcription. MedChem Express HY-15002
      FLT3 MedChem Express HY-15002
      Protein Tyrosine Kinase/RTK MedChem Express HY-15002
      Protein Tyrosine Kinase/RTK; MedChem Express HY-15002

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.4±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 9.37
ACD/KOC (pH 5.5): 39.98
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 475.05
ACD/KOC (pH 7.4): 2027.90
Polar Surface Area: 95 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 394.9±3.0 cm3

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