ChemSpider 2D Image | Cabozantinib | C28H24FN3O5

Cabozantinib

  • Molecular FormulaC28H24FN3O5
  • Average mass501.506 Da
  • Monoisotopic mass501.170013 Da
  • ChemSpider ID25948202

More details:



Featured data source



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

1,1-Cyclopropanedicarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N'-(4-fluorophenyl)- [ACD/Index Name]
1C39JW444G
849217-68-1 [RN]
9297
BMS-907351
Cabozantinib [Spanish] [INN]
Cabozantinib [French] [INN]
Cabozantinibum [Latin] [INN]
Cometriq [Trade name]
More...

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

XL184 [DBID]
XL-184 [DBID]
CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMSO < 10 mg/ml MedChem Express HY-13016
      Soluble in DMSO (?117mg/mL), insoluble in water (›1 mg/mL). LKT Labs [C0006]
      Soluble to 100 mM in DMSO Tocris Bioscience 5422
  • Miscellaneous
    • Safety:

      L01XE26 Wikidata Q795057
      R28, R38, R41, R48, R62, R63 LKT Labs [C0006]
    • Target Organs:

      VEGFR inhibitor TargetMol T2586
    • Chemical Class:

      A dicarboxylic acid diamide that is <element>N</element>-phenyl-<element>N</element>'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substitut ed by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. ChEBI CHEBI:72317
    • Bio Activity:

      Cabozantinib (XL184, BMS-907351) is a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM, respectively.; IC50 value: 0.035 nM [1]; Target: VEGFR2; in vitro: XL184 has weak inhibitory activity against RON and PDGFR? with IC50 of 124 nM and 234 nM, respectivey, and has low activity against FGFR1 with IC50 of 5.294 ?M [1]. MedChem Express HY-13016
      Enzyme-Linked Receptors Tocris Bioscience 5422
      Potent VEGFR inhibitor (IC50 = 0.035 nM); also inhibits c-Met, KIT, RET, FLT4, AXL, FLT3, FLT1 and Tie2 (IC50 values are 1.3, 4.6, 5.2, 6, 7, 11.3, 12 and 14.3 nM, respectively). Induces intratumoral hypoxia and apoptosis. Reduces tumor invasion and metastasis in vivo. Antiangiogenic. Tocris Bioscience 5422
      Potent VEGFR inhibitor (IC50 = 0.035 nM); also inhibits c-Met, KIT, RET, FLT4, AXL, FLT3, FLT1 and Tie2 (IC50 values are 1.3, 4.6, 5.2, 6, 7, 11.3, 12 and 14.3 nM, respectively). Induces intratumoral hypoxia and apoptosis. Reduces tumor invasion and metastasis in vivo. Antiangiogenic. Tocris Bioscience 5422
      Potent VEGFR inhibitor; also inhibits other RTKs Tocris Bioscience 5422
      Protein Tyrosine Kinase/RTK MedChem Express HY-13016
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13016
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 5422
      Tyrosine Kinase/Adaptors TargetMol T2586
      VEGFR Tocris Bioscience 5422
      VEGFR MedChem Express HY-13016
      VEGFR1,2,3 TargetMol T2586

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 111.81
ACD/KOC (pH 5.5): 601.61
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 666.60
ACD/KOC (pH 7.4): 3586.84
Polar Surface Area: 99 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

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