ChemSpider 2D Image | GSK-J4 | C24H27N5O2

GSK-J4

  • Molecular FormulaC24H27N5O2
  • Average mass417.504 Da
  • Monoisotopic mass417.216461 Da
  • ChemSpider ID28467541

More details:






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

1373423-53-0 [RN]
Ethyl 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoate
Ethyl N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninat [German] [ACD/IUPAC Name]
GSK-J4
MFCD22683852
N-[2-(2-Pyridinyl)-6-(1,2,4,5-tétrahydro-3H-3-benzazépin-3-yl)-4-pyrimidinyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
[1373423-53-0]
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1933
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1933
      no pictogram Axon Medchem 1933
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1933
      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details of GSK J4, a cell permeable derivative of GSK J1, please visit the GSK J1 probe summary on the SGC website. Tocris Bioscience 4594
      Warning Axon Medchem 1933
    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB1407]
      Cell Cycle/DNA Damage MedChem Express HY-15648B
      Cell Cycle/DNA Damage; MedChem Express HY-15648B
      Demethylases Tocris Bioscience 4594
      Enzymes Tocris Bioscience 4594
      Enzymes/Demethylase/Histone demethylase Hello Bio [HB1407]
      GSK J4 is a cell permeable prodrug rapidly hydrolyzed by macrophage esterases to GSK-J1, a potent selective jumonji H3K27 demethylase inhibitor; attenuates lipopolysaccharide (LPS)-induced proinflammatory cytokine production in primary human macrophages (IC50 = 9 ?M for the inhibition of TNF? release).; IC50 value: 9 uM(TNF-a blockade) [1]; Target: JMJD3 inhibitor; Jumonji C domain-containing histone demethylases (JHDMs) are Fe(II) and ?-ketoglutarate dependent enzymes that oxygenate methylated histone lysine residues and thereby cause their demethylation. MedChem Express HY-15648B
      Histone Demethylase MedChem Express HY-15648B
      Histone Demethylases Tocris Bioscience 4594
      Histone KDM inhibitor; cell permeable Tocris Bioscience 4594
      Histone lysine demethylase (KDM) inhibitor; blocks demethylation of histone H3K27. Attenuates lipopolysaccharide (LPS)-induced proinflammatory cytokine production in primary human macrophages (IC50 = 9 ?M for the inhibition of TNF? release). Cell permeable. Ethyl ester derivative of GSK J1 (Cat. No. 4593). Tocris Bioscience 4594
      Histone lysine demethylase (KDM) inhibitor; blocks demethylation of histone H3K27. Attenuates lipopolysaccharide (LPS)-induced proinflammatory cytokine production in primary human macrophages (IC50 = 9 ?M for the inhibition of TNF? release). Cell permeable. Ethyl ester derivative of GSK J1 (Cat. No. 4593). Tocris Bioscience 4594
      Histone lysine demethylase (KDM) inhibitor; blocks demethylation of histone H3K27. Attenuates lipopolysaccharide (LPS)-induced proinflammatory cytokine production in primary human macrophages (IC50 = 9 muM for the inhibition of TNFalpha release). Cell permeable. Ethyl ester derivative of GSK J1 (Cat. No. 4593). Tocris Bioscience 4594
      Histone lysine demethylase (KDM) inhibitor; blocks demethylation of histone H3K27. Attenuates lipopolysaccharide (LPS)-induced proinflammatory cytokine production in primary human macrophages (IC50 = 9 muM for the inhibition of TNFalpha release). Cell permeable. Ethyl ester derivative of GSK J1. Negative Control also available. Tocris Bioscience 4594
      JMJD3 / UTX Histone demethylase inhibitor Hello Bio [HB1407]
      JMJD3 and UTX histone demethylase inhibitor,GSK J1 prodrug. Cell permeable. Reduces macrophage proinflammatory cytokine production. Improves survival in Cardio-facio-cutaneous (CFC) syndrome in mice and inhibits growth of T-cell acute lymphoblastic leukaemia cancer cells. Hello Bio [HB1407]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 417.89
ACD/KOC (pH 5.5): 1779.00
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1566.97
ACD/KOC (pH 7.4): 6670.77
Polar Surface Area: 80 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

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