ChemSpider 2D Image | TAK-901 | C28H32N4O3S

TAK-901

  • Molecular FormulaC28H32N4O3S
  • Average mass504.644 Da
  • Monoisotopic mass504.219513 Da
  • ChemSpider ID17281108

More details:

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

5-[3-(ethanesulfonyl)phenyl]-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-1H-pyrido[2,3-b]indol-7-carboxamid [German] [ACD/IUPAC Name]
5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-1H-pyrido[2,3-b]indole-7-carboxamide [ACD/IUPAC Name]
5-[3-(Éthylsulfonyl)phényl]-3,8-diméthyl-N-(1-méthyl-4-pipéridinyl)-1H-pyrido[2,3-b]indole-7-carboxamide [French] [ACD/IUPAC Name]
934541-31-8 [RN]
9H-Pyrido[2,3-b]indole-7-carboxamide, 5-[3-(ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
DM9UIR23R7
TAK-901
[934541-31-8] [RN]
1346603-28-8 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Aurora Kinase inhibitor; JAK inhibitor; TargetMol T2709

    • Bio Activity:

      Aurora A;Aurora B;JAK3;c-Src;CLK2;FGR; TargetMol T2709
      Aurora Kinase MedChem Express HY-12201
      Cell Cycle/Checkpoint; JAK/STAT Signaling; Tyrosine Kinase/Adaptors TargetMol T2709
      Cell Cycle/DNA Damage MedChem Express HY-12201
      Cell Cycle/DNA Damage; MedChem Express HY-12201
      TAK-901 is a novel inhibitor of Aurora A/B with IC50 of 21 nM/15 nM. MedChem Express HY-12201
      TAK-901 is a novel inhibitor of Aurora A/B with IC50 of 21 nM/15 nM. ;IC50 Value: 21 nM(Aurora A); 15 nM(Aurora B);Target: Aurora A/B;In vitro: TAK-901 inhibits Aurora A-TPX2 and Aurora B-INCENP in tight binding, time-dependent manner. Dissociation of TAK-901 from Aurora B-INCENP is slow with at 1/2 of 920 minutes, and the affinity constant for TAK-901 binding to Aurora B-INCENP is determined to be 0.02 nM. TAK-901 induces inhibition of cell proliferation in cultured human cancer cell lines from different tissues with IC50s ranging from 40 to 500nM. Consistent with Aurora B inhibition, TAK-901 treatment produces polyploidy in human PC3 prostate cancer and HL60 acute myeloid leukemia cells as measured by immunofluorescence and flow cytometry. Examination of a broad panel of kinases reveals that multiple kinases, including FLT3, FGFR and the Src family kinases, are inhibited by TAK-901 with IC50 values similar to those for Aurora A and B. In cells, TAK-901 suppresses the Flt3 and FGF MedChem Express HY-12201

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.5±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.78
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 35.65
ACD/KOC (pH 7.4): 240.26
Polar Surface Area: 104 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

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