ChemSpider 2D Image | WZ4002 | C25H27ClN6O3

WZ4002

  • Molecular FormulaC25H27ClN6O3
  • Average mass494.973 Da
  • Monoisotopic mass494.183319 Da
  • ChemSpider ID24608638

More details:

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

1213269-23-8 [RN]
2-Propenamide, N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]- [ACD/Index Name]
MFCD16621244 [MDL number]
N-[3-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
N-{3-[(5-Chlor-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)oxy]phenyl}acrylamid [German] [ACD/IUPAC Name]
N-{3-[(5-Chloro-2-{[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)oxy]phenyl}acrylamide [ACD/IUPAC Name]
N-{3-[(5-Chloro-2-{[2-méthoxy-4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)oxy]phényl}acrylamide [French] [ACD/IUPAC Name]
N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
WZ4002
WZ-4002
More...

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

6BQ432Z61M [DBID]
UNII:6BQ432Z61M [DBID]
UNII-6BQ432Z61M [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A pyrimidine compound having a 2-methoxy-4-(4-methylpiperazin-1-yl)anilino group at the 2-position, a 3-(acryloylamino)phenoxy group at the 4-position, and a chloro substituent at the 5-position. ChEBI CHEBI:61400

    • Bio Activity:

      EGFR MedChem Express HY-12026
      JAK/STAT Signaling MedChem Express HY-12026
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-12026
      WZ4002 is a novel, mutant-selective EGFR inhibitor for EGFR(L858R)/(T790M) with IC50 of 2 nM/8 nM; does not inhibit ERBB2 phosphorylation (T798I).; IC50 value: 2 nM/8 nM(EGFR L858R/T790M) [1]; Target: Mutant EGFR; in vitro: WZ4002 inhibits other EGFR genotypes E746_A750 and E746_A750/T790M with IC50 of 2 and 6 nM. MedChem Express HY-12026

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.79
ACD/KOC (pH 5.5): 24.61
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 159.90
ACD/KOC (pH 7.4): 1037.34
Polar Surface Area: 92 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement