ChemSpider 2D Image | Pracinostat | C20H30N4O2

Pracinostat

  • Molecular FormulaC20H30N4O2
  • Average mass358.478 Da
  • Monoisotopic mass358.236877 Da
  • ChemSpider ID25027185

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{2-Butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamid [German] [ACD/IUPAC Name]
(2E)-3-{2-Butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide [ACD/IUPAC Name]
(2E)-3-{2-Butyl-1-[2-(diéthylamino)éthyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl]-N-hydroxy-, (2E)- [ACD/Index Name]
3-[2-butyl-1-[2-(diethylamino)ethyl]-5-benzimidazolyl]-N-hydroxy-2-propenamide
929016-96-6 [RN]
GPO2JN4UON
PCI 34051
pracinostat [French] [INN]
pracinostat [Spanish] [INN]
More...

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

9386 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deace tylase inhibitor with demonstrated activity in the treatment of advanced solid tumours. ChEBI CHEBI:95071

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13322
      Cell Cycle/DNA Damage; MedChem Express HY-13322
      HDAC MedChem Express HY-13322
      Pracinostat(SB939) is a potent pan-HDAC inhibitor with IC50 of 40-140 nM with exception for HDAC6; has no activity against the class III isoenzyme SIRT I. MedChem Express http://www.medchemexpress.com/JNK-IN-8.html, HY-13322
      Pracinostat(SB939) is a potent pan-HDAC inhibitor with IC50 of 40-140 nM with exception for HDAC6; has no activity against the class III isoenzyme SIRT I. ;IC50 Value: 49 nM(HDAC1); 43 nM(HDAC3); 56 nM(HDAC4); 47 nM(HDAC5); 70 nM(HDAC9); 40 nM(HDAC10);Target: HDACsPracinostat (SB939) is an orally bioavailable, small-molecule histone deacetylase (HDAC) inhibitor with potential antineoplastic activity. Pracinostat (SB939) inhibits HDACs, which may result in the accumulation of highly acetylated histones, followed by the induction of chromatin remodeling; the selective transcription of tumor suppressor genes; the tumor suppressor protein-mediated inhibition of tumor cell division; and, finally, the induction of tumor cell apoptosis. Pracinostat (SB939) may possess improved metabolic, pharmacokinetic and pharmacological properties compared to other HDAC inhibitors. MedChem Express HY-13322

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 70 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 320.4±7.0 cm3

Click to predict properties on the Chemicalize site


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