ChemSpider 2D Image | N-{7-Cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide | C27H18F4N4O3S

N-{7-Cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide

  • Molecular FormulaC27H18F4N4O3S
  • Average mass554.515 Da
  • Monoisotopic mass554.103577 Da
  • ChemSpider ID30646719

More details:






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

Benzeneacetamide, N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{7-Cyan-6-[4-fluor-3-({[3-(trifluormethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{7-Cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{7-Cyano-6-[4-fluoro-3-({2-[3-(trifluorométhyl)phényl]acétyl}amino)phénoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]
[1228591-30-7]
1228591-30-7 [RN]
1SU
MFCD26960965
N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide
N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Raf inhibitor TargetMol T1886
    • Bio Activity:

      B-Raf, C-Raf TargetMol T1886
      MAPK Signaling TargetMol T1886
      MAPK; MedChem Express HY-15767
      Raf MedChem Express HY-15767
      TAK-632 is a selective pan-RAF kinase inhibitor with IC50 values of 2.4/1.4 nM for BRAF V600E/c-RAF; MedChem Express http://www.medchemexpress.com/rki-1447.html
      TAK-632 is a selective pan-RAF kinase inhibitor with IC50 values of 2.4/1.4 nM for BRAF V600E/c-RAF; > 60 fold selectivity over VEGFR.;IC50 Value: 2.4 nM (BRAF V600E); 1.4 nM (C-RAF); 160 nM (VEGFR) [1];Target: B-Raf; C-Raf;In vitro: TAK-632 inhibited phosphorylation of MEK (pMEK) in melanoma A375 cells (BRAFV600E) with an IC50 value of 12 nM. Downstream inhibition of ERK phosphorylation (pERK) was also observed in A375 cells with an IC50 value of 16 nM [1]. TAK-632 suppresses RAF activity in BRAF wild-type cells with minimal RAF paradoxical activation. Our analysis using RNAi and TAK-632 in preclinical models reveals that the MAPK pathway of NRAS-mutated melanoma cells is highly dependent on RAF. TAK-632 induces RAF dimerization but inhibits the kinase activity of the RAF dimer, probably because of its slow dissociation from RAF. As a result, TAK-632 demonstrates potent anti-proliferative effects both on NRAS-mutated melanoma cells and BRAF-mutated melanoma cells with acquired res MedChem Express HY-15767

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4018.03
ACD/KOC (pH 5.5): 13223.20
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3992.86
ACD/KOC (pH 7.4): 13140.35
Polar Surface Area: 132 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 363.8±5.0 cm3

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