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ChemSpider 2D Image | Nilotinib | C28H22F3N7O

Nilotinib

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID559260

More details:



Featured data source



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

4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide
4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzolcarboxamid
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide [ACD/IUPAC Name]
4-Méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide [French] [ACD/IUPAC Name]
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
641571-10-0 [RN]
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AMN 107 [DBID]
AMN107 [DBID]
AMN-107 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1396
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1396
      IRRITANT Matrix Scientific 075955
      no pictogram Axon Medchem 1396
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1396
      P261; P262 Biosynth Q-101348
      Warning Axon Medchem 1396
    • Target Organs:

      Bcr-Abl inhibitor;Mast/stem cell GFR Kit agonist TargetMol T1524
    • Drug Status:

      approved BIONET-Key Organics CF-0252
    • Bio Activity:

      Bcr-Abl MedChem Express HY-10159
      Bcr-Abl ;Mast/stem cell GFR Kit TargetMol T1524
      Nilotinib (AMN-107) is a Bcr-Abl inhibitor with IC50 less than 30 nM. MedChem Express
      Nilotinib (AMN-107) is a Bcr-Abl inhibitor with IC50 less than 30 nM.; IC50 value: < 30 nM [1]; Target: Bcr-Abl; in vitro: Nilotinib (AMN107) is significantly more potent against BCR-ABL than imatinib, and is active against many imatinib-resistant BCR-ABL mutants [1]. MedChem Express HY-10159
      Protein Tyrosine Kinase/RTK MedChem Express HY-10159
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10159
      Tyrosine Kinase/Adaptors TargetMol T1524

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 961.41
ACD/KOC (pH 5.5): 3660.25
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.69
ACD/KOC (pH 7.4): 8991.37
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

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