ChemSpider 2D Image | molibresib | C22H22ClN5O2

molibresib

  • Molecular FormulaC22H22ClN5O2
  • Average mass423.895 Da
  • Monoisotopic mass423.146210 Da
  • ChemSpider ID25060117

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)- 6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetamide
(4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetamide
1260907-17-2 [RN]
2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorophényl)-8-méthoxy-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-yl]-N-éthylacétamide [French] [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorphenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamid [German] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)- [ACD/Index Name]
5QIO6SRZ2R
GSK525762
GSK-525762
More...

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

10533 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      BET bromodomain MedChem Express HY-13032
      Cell Cycle/DNA Damage MedChem Express HY-13032
      Cell Cycle/DNA Damage; MedChem Express HY-13032
      GSK 525762A (I-BET 762) is an inhibitor for BET proteins with IC50 of ~35 nM. MedChem Express
      GSK 525762A (I-BET 762) is an inhibitor for BET proteins with IC50 of ~35 nM.; IC50 Value: ~35 nM; Target: BET; in vitro: GSK 525762A is an inhibitor for BET (bromodomain and extra terminal domain) proteins, BRD2, BRD3 and BRD4, binds to the tandem bromodomains of BET with Kd of 50.5-61.3 nM, displaces a tetra-acetylated H4 peptide prebound to tandem bromodomains of BET with IC50 of 32.5-42.5 nM in FRET analysis. MedChem Express HY-13032
      GSK 525762A (I-BET 762) is an inhibitor for BET proteins with IC50 of ~35 nM.;IC50 Value: ~35 nM;Target: BET;In vitro: GSK 525762A is an inhibitor for BET (bromodomain and extra terminal domain) proteins, BRD2, BRD3 and BRD4, binds to the tandem bromodomains of BET with Kd of 50.5-61.3 nM, displaces a tetra-acetylated H4 peptide prebound to tandem bromodomains of BET with IC50 of 32.5-42.5 nM in FRET analysis. GSK 525762A occupies the acetyl-lysine binding pocket of BET proteins and inhibits binding of BET proteins to acetylated histones, thus disrupts the formation of the chromatin complexes essential for expression of inflammatory genes. GSK 525762A treatment during the first 2 d of differentiation alters CD4+ T-cell cytokine production, up-regulated expression of several antiinflammatory gene products and down-regulated expression of several proinflammatory cytokines.;In vivo: GSK 525762A confers protection against lipopolysaccharide-induced endotoxic shock and bacteria induced MedChem Express HY-13032

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.28
ACD/KOC (pH 5.5): 445.79
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.36
ACD/KOC (pH 7.4): 446.69
Polar Surface Area: 81 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement