ChemSpider 2D Image | Gandotinib | C23H25ClFN7O

Gandotinib

  • Molecular FormulaC23H25ClFN7O
  • Average mass469.942 Da
  • Monoisotopic mass469.179321 Da
  • ChemSpider ID25027412

More details:






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

1229236-86-5 [RN]
3-(4-Chlor-2-fluorbenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amin [German] [ACD/IUPAC Name]
3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine [ACD/IUPAC Name]
3-(4-Chloro-2-fluorobenzyl)-2-méthyl-N-(5-méthyl-1H-pyrazol-3-yl)-8-(4-morpholinylméthyl)imidazo[1,2-b]pyridazin-6-amine [French] [ACD/IUPAC Name]
9695
Imidazo[1,2-b]pyridazin-6-amine, 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)- [ACD/Index Name]
LY2784544
[1229236-86-5]
3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ANC71R916O [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:ANC71R916O [DBID]
UNII-ANC71R916O [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2554
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2554
      no pictogram Axon Medchem 2554
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2554
      Warning Axon Medchem 2554
    • Target Organs:

      JAK inhibitor; FLT3 inhibitor; FGFR inhibitor TargetMol T2638
    • Bio Activity:

      JAK MedChem Express HY-13034
      JAK/STAT Signaling MedChem Express HY-13034
      JAK/STAT Signaling; MedChem Express HY-13034
      JAK2(V617F);FLT3;JAK2;JAK1;FLT4;FGFR2;TYK2;JAK3 TargetMol T2638
      LY2784544(gandotinib) is a potent JAK2 inhibitor with IC50 of 3 nM, effective in JAK2V617F(Ki=0.245 nM), 8- and 20-fold selective versus JAK1 and JAK3.; IC5o value: 3 nM [1]; Target: JAK2; in vitro: LY2784544 also inhibits IL-3-activated wild type JAK2 with IC50 of 2.26 ?M. MedChem Express HY-13034
      Tyrosine Kinase/Adaptors; JAK/STAT Signaling TargetMol T2638

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: 1.700
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 21.04
ACD/KOC (pH 5.5): 197.47
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.19
ACD/KOC (pH 7.4): 902.56
Polar Surface Area: 83 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 322.0±7.0 cm3

Click to predict properties on the Chemicalize site





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