ChemSpider 2D Image | GSK2879552 | C23H28N2O2

GSK2879552

  • Molecular FormulaC23H28N2O2
  • Average mass364.481 Da
  • Monoisotopic mass364.215088 Da
  • ChemSpider ID35308350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1401966-63-9 [RN]
1401966-69-5 [RN]
4-((4-(((Trans-2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)methyl)benzoic acid
4-{[4-({[(1R,2S)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[4-({[(1R,2S)-2-Phenylcyclopropyl]amino}methyl)-1-piperidinyl]methyl}benzoic acid [ACD/IUPAC Name]
4-{[4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}benzoic acid
Acide 4-{[4-({[(1R,2S)-2-phénylcyclopropyl]amino}méthyl)-1-pipéridinyl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]-1-piperidinyl]methyl]- [ACD/Index Name]
GSK2879552
GSK-2879552
More...

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

GT77Z6Y09Z [DBID]
UNII:GT77Z6Y09Z [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. ChEBI CHEBI:176334

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-18632
      Cell Cycle/DNA Damage; MedChem Express HY-18632
      GSK2879552 is an orally available, irreversible, inhibitor of lysine specific demethylase 1 (LSD1), with potential antineoplastic activity. MedChem Express
      GSK2879552 is an orally available, irreversible, inhibitor of lysine specific demethylase 1 (LSD1), with potential antineoplastic activity.; IC50 value: ; Target: LSD1 inhibitor; Upon administration, GSK2879552 binds to and inhibits LSD1, a demethylase that suppresses the expression of target genes by converting the dimethylated form of lysine at position 4 of histone H3 (H3K4) to mono- and unmethylated H3K4. MedChem Express HY-18632
      GSK2879552 is an orally available, irreversible, inhibitor of lysine specific demethylase 1 (LSD1), with potential antineoplastic activity.;IC50 value: ;Target: LSD1 inhibitorUpon administration, GSK2879552 binds to and inhibits LSD1, a demethylase that suppresses the expression of target genes by converting the dimethylated form of lysine at position 4 of histone H3 (H3K4) to mono- and unmethylated H3K4. LSD1 inhibition enhances H3K4 methylation and increases the expression of tumor-suppressor genes. This may lead to an inhibition of cell growth in LSD1-overexpressing tumor cells. LSD1, overexpressed in certain tumor cells, plays a key role in tumor cell growth and survival. MedChem Express HY-18632
      Histone Demethylase MedChem Express HY-18632

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 53 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement