ChemSpider 2D Image | GSK343 | C31H39N7O2

GSK343

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID28650741

More details:

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

1346704-33-3 [RN]
1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]- [ACD/Index Name]
1-Isopropyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1H-indazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Isopropyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1H-indazole-4-carboxamide [ACD/IUPAC Name]
1-Isopropyl-N-[(6-méthyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)méthyl]-6-[2-(4-méthyl-1-pipérazinyl)-4-pyridinyl]-1H-indazole-4-carboxamide [French] [ACD/IUPAC Name]
1-ISOPROPYL-N-[(6-METHYL-2-OXO-4-PROPYL-1H-PYRIDIN-3-YL)METHYL]-6-[2-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-4-YL]INDAZOLE-4-CARBOXAMIDE
GSK 343
GSK343
MFCD25563250
N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-1H-indazole-4-carboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the GSK343 probe summary on the SGC website. Tocris Bioscience 6128

    • Chemical Class:

      A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)met hyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). ChEBI CHEBI:167693

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13500
      Cell Cycle/DNA Damage; MedChem Express HY-13500
      Enzymes Tocris Bioscience 6128
      EZH2 MedChem Express HY-13500
      EZH2 HMTase MedChem Express HY-13500
      GSK343 is a potent and selective EZH2 inhibitor with IC50 of 4 nM, showing 60 fold selectivity against EZH1, and MedChem Express http://www.medchemexpress.com/GSK343.html
      GSK343 is a potent and selective EZH2 inhibitor with IC50 of 4 nM, showing 60 fold selectivity against EZH1, and >1000 fold selectivity against other histone methyltransferases.; IC50 Value: 4 nM [1]; Target: EZH2; in vitro: GSK343 exhibited limited effects on the growth of EOC cells in conventional two-dimensional (2D) culture. MedChem Express HY-13500
      GSK343 is a potent and selective EZH2 inhibitor with IC50 of 4 nM, showing 60 fold selectivity against EZH1, and >1000 fold selectivity against other histone methyltransferases.;IC50 Value: 4 nM [1];Target: EZH2;In vitro: GSK343 exhibited limited effects on the growth of EOC cells in conventional two-dimensional (2D) culture. In contrast, GSK343 significantly suppressed the growth of EOC cells cultured in 3D matrigel extracellular matrix (ECM), which more closely mimics the tumor microenvironment. Notably, GSK343 induces apoptosis of EOC cells in 3D but not 2D culture. In addition, GSK343 significantly inhibited the invasion of EOC cells [2].;In vivo: N/A;Toxicity: N/AClinical trial: N/A MedChem Express HY-13500
      Lysine Methyltransferases Tocris Bioscience 6128
      Potent and selective SAM-competitive EZH2 inhibitor Tocris Bioscience 6128
      Potent and selective SAM-competitive EZH2 inhibitor (IC50 = 4 mM). Exhibits >60 fold selectivity for EZH2 over EZH1 and a range of other methyltransferases. Inhibits proliferation of prostate cancer cell lines in vitro. Tocris Bioscience 6128
      Transferases Tocris Bioscience 6128

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 157.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 29.50
ACD/KOC (pH 7.4): 280.14
Polar Surface Area: 95 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 429.7±7.0 cm3

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