ChemSpider 2D Image | Gilteritinib | C29H44N8O3

Gilteritinib

  • Molecular FormulaC29H44N8O3
  • Average mass552.711 Da
  • Monoisotopic mass552.353638 Da
  • ChemSpider ID32055842

More details:

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

Gilteritinib [INN] [USAN]
1254053-43-4 [RN]
2-Pyrazinecarboxamide, 6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]- [ACD/Index Name]
6-Ethyl-3-({3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-5-(tetrahydro-2H-pyran-4-ylamino)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
6-Ethyl-3-({3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-5-(tetrahydro-2H-pyran-4-ylamino)-2-pyrazinecarboxamide [ACD/IUPAC Name]
6-Éthyl-3-({3-méthoxy-4-[4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]phényl}amino)-5-(tétrahydro-2H-pyran-4-ylamino)-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
6-ETHYL-3-({3-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL}AMINO)-5-[(OXAN-4-YL)AMINO]PYRAZINE-2-CARBOXAMIDE
6-ethyl-3-({3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-[(tetrahydro-2H-pyran-4-yl)amino]pyrazine-2-carboxamide
6-ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarboxamide
6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-(oxan-4-ylamino)pyrazine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10048 [DBID]
66D92MGC8M [DBID]
UNII:66D92MGC8M [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. ChEBI CHEBI:145372

    • Bio Activity:

      Axl MedChem Express HY-12432
      Axl FLT3 MedChem Express HY-12432
      Gilteritinib(ASP-2215) is a potent FLT3/AXL inhibitor with IC50 of 0.29 nM/<1 nM respectively; shows potent antileukemic activity against AML with either or both FLT3-ITD and FLT3-D835 mutations. MedChem Express
      Gilteritinib(ASP-2215) is a potent FLT3/AXL inhibitor with IC50 of 0.29 nM/<1 nM respectively; shows potent antileukemic activity against AML with either or both FLT3-ITD and FLT3-D835 mutations.; IC50 value: 0.29 nM(FLT3); <1 nM(Axl kinase); Target: FLT3/AXL inhibitor; ASP2215 inhibited the growth of MV4-11 cells, which harbor FLT3-ITD, with an IC50 value of 0.92 nM, accompanied with inhibition of pFLT3, pAKT, pSTAT5, pERK, and pS6. MedChem Express HY-12432
      Gilteritinib(ASP-2215) is a potent FLT3/AXL inhibitor with IC50 of 0.29 nM/<1 nM respectively; shows potent antileukemic activity against AML with either or both FLT3-ITD and FLT3-D835 mutations.;IC50 value: 0.29 nM(FLT3); <1 nM(Axl kinase);Target: FLT3/AXL inhibitorASP2215 inhibited the growth of MV4-11 cells, which harbor FLT3-ITD, with an IC50 value of 0.92 nM, accompanied with inhibition of pFLT3, pAKT, pSTAT5, pERK, and pS6. ASP2215 decreased tumor burden in bone marrow and prolonged the survival of mice intravenously transplanted with MV4-11 cells. ASP2215 may have potential use in treating AML. MedChem Express HY-12432
      Protein Tyrosine Kinase/RTK MedChem Express HY-12432
      Protein Tyrosine Kinase/RTK; MedChem Express HY-12432

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.53
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 54.79
ACD/KOC (pH 7.4): 327.45
Polar Surface Area: 121 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 444.9±3.0 cm3

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