ChemSpider 2D Image | Quizartinib | C29H32N6O4S

Quizartinib

  • Molecular FormulaC29H32N6O4S
  • Average mass560.667 Da
  • Monoisotopic mass560.220581 Da
  • ChemSpider ID24640357

More details:

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

1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea [ACD/IUPAC Name]
1-[5-(2-Méthyl-2-propanyl)-1,2-oxazol-3-yl]-3-(4-{7-[2-(4-morpholinyl)éthoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phényl)urée [French] [ACD/IUPAC Name]
7LA4O6Q0D3
950769-58-1 [RN]
Quizartinib [USAN] [Wiki]
Urea, N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-N'-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]- [ACD/Index Name]
[950769-58-1] [RN]
1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea
1-(5-(tert-Butyl)isoxazol-3-yl)-3-(4-(7-(2-morpholinoethoxy)-benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)urea
More...

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

9356 [DBID]
AC010220 [DBID]
AC220 [DBID]
AC 220 [DBID]
AC-220 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      FLT3 inhibitor TargetMol T2066

    • Chemical Class:

      A member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-<ital>tert</ital>-butyl-1,2-oxazol-3-yl group while the other has been substituted by a p henyl group substituted at the <ital>para</ital>- position by an imidazo[2,1-<ital>b</ital>][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group . ChEBI CHEBI:90217
      A member of the class of phenylureas that is urea in which one of the amino groups has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group while the other has been substituted by a phenyl group s ubstituted at the para- position by an imidazo[2,1-b][1,3]benzothiazol-2-yl group that, in turn, is substituted at position 7 by a 2-(morpholin-4-yl)ethoxy group. ChEBI CHEBI:90217

    • Bio Activity:

      FLT3 MedChem Express HY-13001
      FLT3 TargetMol T2066
      Protein Tyrosine Kinase/RTK MedChem Express HY-13001
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13001
      Quizartinib (AC220) is a second-generation FLT3 inhibitor for Flt3(ITD/WT) with IC50 of 1.1 nM/4.2 nM, 10-fold more selective for Flt3 than KIT, PDGFR?, PDGFR?, RET, and CSF-1R. MedChem Express HY-13001
      Tyrosine Kinase/Adaptors TargetMol T2066

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 153.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 31.43
ACD/KOC (pH 5.5): 131.24
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1455.10
ACD/KOC (pH 7.4): 6076.08
Polar Surface Area: 134 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 402.0±7.0 cm3

Click to predict properties on the Chemicalize site


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