ChemSpider 2D Image | gsk2830371 | C23H29ClN4O2S

gsk2830371

  • Molecular FormulaC23H29ClN4O2S
  • Average mass461.020 Da
  • Monoisotopic mass460.169983 Da
  • ChemSpider ID29786444

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(5-{[(5-chloro-2-methylpyridin-3-yl)amino]methyl}thiophen-2-yl)formamido]-3-cyclopentyl-N-cyclopropylpropanamide
1404456-53-6 [RN]
2-Thiophenecarboxamide, 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(1S)-1-(cyclopentylmethyl)-2-(cyclopropylamino)-2-oxoethyl]- [ACD/Index Name]
5-{[(5-Chlor-2-methyl-3-pyridinyl)amino]methyl}-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxo-2-propanyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
5-{[(5-Chloro-2-methyl-3-pyridinyl)amino]methyl}-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxo-2-propanyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
5-{[(5-Chloro-2-méthyl-3-pyridinyl)amino]méthyl}-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxo-2-propanyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
gsk2830371
(E)-2-cyano-3-(4-hydroxy-3,5-diisopropylphenyl)acrylamide
(S)-5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)-N-(3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl)thiophene-2-carboxamide
[1404456-53-6] [RN]
More...

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

CCRIS 4693 [DBID]
ST 271 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes only under agreement from GlaxoSmithKline Tocris Bioscience 5140

    • Bio Activity:

      Enzymes Tocris Bioscience 5140
      GSK2830371 is a orally active, allosteric inhibitor of Wip1 phosphatase with IC50 of 6 nM. MedChem Express
      GSK2830371 is a orally active, allosteric inhibitor of Wip1 phosphatase with IC50 of 6 nM.; IC50 Value: 6 nM [1]; Target: Wip1 phosphatase; in vitro: GSK2830371 potently inhibited Wip1 (2-420) dephosphorylation of FDP and the endogenous substrates phospho-p38 MAPK (T180) with IC50 values of 6 nM and 13 nM, respectively. MedChem Express HY-15832
      GSK2830371 is a orally active, allosteric inhibitor of Wip1 phosphatase with IC50 of 6 nM.;IC50 Value: 6 nM [1];Target: Wip1 phosphatase;In vitro: GSK2830371 potently inhibited Wip1 (2-420) dephosphorylation of FDP and the endogenous substrates phospho-p38 MAPK (T180) with IC50 values of 6 nM and 13 nM, respectively. GSK2830371 showed no inhibition of any of the 21 additional phosphatases tested, confirming the selective inhibition of Wip1 phosphatase. In the PPM1D-amplified MCF7 breast carcinoma cells, treatment with GSK2830371 increased phosphorylation of substrates in a concentration-dependent manner. Treatment of MX-1 and MCF7 cells (Wip1 amplified, p53 wild type) with GSK2830371 caused concentration-dependent effects in cell growth assays. Treatment with GSK2830371 would cause increase in phospho-substrates Chk2(T68) and p53(S15) only in the presence of functional ATM kinase activity [1].;In vivo: GSK2830371 for testing on the basis of its biochemical potency and oral bioavai MedChem Express HY-15832
      Others MedChem Express HY-15832
      Phosphatases Tocris Bioscience 5140
      Phospholipase MedChem Express HY-15832
      Potent and selective allosteric inhibitor of Wip1 phosphatase Tocris Bioscience 5140
      Potent and selective allosteric inhibitor of Wip1 phosphatase (IC50 = 6 nM). Exhibits selectivity for Wip1 over 21 other phosphatases. Increases phosphorylation of Wip1 substrates, including p53, Chk2 , H2AX and ATM. Attenuates tumor cell growth in a variety of lymphoid cell lines. Also inhibits lymphoma xenograft growth in vivo. Orally bioavailable. Tocris Bioscience 5140
      Potent and selective allosteric inhibitor of Wip1 phosphatase (IC50 = 6 nM). Exhibits selectivity for Wip1 over 21 other phosphatases. Increases phosphorylation of Wip1 substrates, including p53, Chk2, H2AX and ATM. Attenuates tumor cell growth in a variety of lymphoid cell lines. Also inhibits lymphoma xenograft growth in vivo. Orally bioavailable. Tocris Bioscience 5140
      Protein Ser/Thr Phosphatases Tocris Bioscience 5140

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.88
ACD/KOC (pH 5.5): 3060.77
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 533.19
ACD/KOC (pH 7.4): 3115.12
Polar Surface Area: 111 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

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