ChemSpider 2D Image | infigratinib | C26H31Cl2N7O3

infigratinib

  • Molecular FormulaC26H31Cl2N7O3
  • Average mass560.475 Da
  • Monoisotopic mass559.186523 Da
  • ChemSpider ID26333103

More details:






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

10032
3-(2,6-Dichlor-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea [ACD/IUPAC Name]
3-(2,6-Dichloro-3,5-diméthoxyphényl)-1-(6-{[4-(4-éthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)-1-méthylurée [French] [ACD/IUPAC Name]
872511-34-7 [RN]
A4055ME1VK
BGJ-398
infigratinib [INN]
infigratinib [Spanish] [INN]
infigratinib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1775
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1775
      no pictogram Axon Medchem 1775
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1775
      Warning Axon Medchem 1775
    • Target Organs:

      FGFR inhibitor TargetMol T1975
    • Chemical Class:

      A member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the othe r nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor. ChEBI CHEBI:63451
    • Bio Activity:

      FGFR MedChem Express HY-13311
      FGFR2 TargetMol T1975
      NVP-BGJ398(BGJ-398) is a novel selective, pan-specific FGFR inhibitor with IC50 of 0.9, 1.4, and 1 nM for FGFR1, FGFR2, and FGFR3, respectively; MedChem Express http://www.medchemexpress.com/Regorafenib-Hydrochloride.html
      NVP-BGJ398(BGJ-398) is a novel selective, pan-specific FGFR inhibitor with IC50 of 0.9, 1.4, and 1 nM for FGFR1, FGFR2, and FGFR3, respectively; >40-fold selective for FGFR versus FGFR4 and VEGFR2, and little activity to Abl, Fyn, Kit, Lck, Lyn and Yes.; IC50 Value: 0.9 nM (FGFR1); 1.4 nM (FGFR2); 1 nM (FGFR2) [1]; Target: FGFR1/2/3; in vitro: NVP-BGJ398 is a novel and selective fibroblast growth factor receptor (FGFR) inhibitor. MedChem Express HY-13311
      NVP-BGJ398(BGJ-398) is a novel selective, pan-specific FGFR inhibitor with IC50 of 0.9, 1.4, and 1 nM for FGFR1, FGFR2, and FGFR3, respectively; >40-fold selective for FGFR versus FGFR4 and VEGFR2, and little activity to Abl, Fyn, Kit, Lck, Lyn and Yes.;IC50 Value: 0.9 nM (FGFR1); 1.4 nM (FGFR2); 1 nM (FGFR2) [1];Target: FGFR1/2/3;In vitro: NVP-BGJ398 is a novel and selective fibroblast growth factor receptor (FGFR) inhibitor. NVP-BGJ398 inhibit FGFR1, FGFR2, FGFR3 with IC50 of 0.9 nM, 1.4 nM and 1 nM. NVP-BGJ398 inhibited FGFR1, FGFR2, and FGFR3 with single digit nmol/L IC50 in biochemical and cellular autophosphorylation assays and FGFR4 with 38- to 60-fold lower potency. NVP-BGJ398 significantly inhibits proliferation of cancer cell lines bearing FGF/FGFR genetic alterations across various cancer types.Among the 35 cell lines selected from the high-throughput assays, 28 were confirmed as sensitive to NVP-BGJ398 with IC50s ranging from 0.001 to 500 nM. Cancer cell lines harboring MedChem Express HY-13311
      Protein Tyrosine Kinase/RTK MedChem Express HY-13311
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13311
      Tyrosine Kinase/Adaptors TargetMol T1975

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 41.06
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 889.77
ACD/KOC (pH 7.4): 3325.93
Polar Surface Area: 95 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

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