ChemSpider 2D Image | TMP269 | C25H21F3N4O3S

TMP269

  • Molecular FormulaC25H21F3N4O3S
  • Average mass514.519 Da
  • Monoisotopic mass514.128662 Da
  • ChemSpider ID29408613

More details:






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

Benzamide, N-[[tetrahydro-4-(4-phenyl-2-thiazolyl)-2H-pyran-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
N-{[4-(4-Phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluormethyl)-1,2,4-oxadiazol-3-yl]benzamid [German] [ACD/IUPAC Name]
N-{[4-(4-Phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide [ACD/IUPAC Name]
N-{[4-(4-Phényl-1,3-thiazol-2-yl)tétrahydro-2H-pyran-4-yl]méthyl}-3-[5-(trifluorométhyl)-1,2,4-oxadiazol-3-yl]benzamide [French] [ACD/IUPAC Name]
TMP269
[1314890-29-3]
10.1021/jm4011884
1314890-29-3 [RN]
compound 1 [PMID: 23524983]
compound 1 [PMID: 23524983]|TMFO1|TMP 269|TMP-269
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      HDAC inhibitor TargetMol T1857
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-18360
      Cell Cycle/DNA Damage; MedChem Express HY-18360
      Chromatin/Epigenetic TargetMol T1857
      HDAC MedChem Express HY-18360
      HDAC9/7/5/4 TargetMol T1857
      TMP269 is a novel and selective class IIa histone deacetylase inhibitor with IC50s of 126/80/36/9 nM for HDAC 4/5/7/9, respectively; 20-400 fold selectivity over class1 HDACs. MedChem Express
      TMP269 is a novel and selective class IIa histone deacetylase inhibitor with IC50s of 126/80/36/9 nM for HDAC 4/5/7/9, respectively; 20-400 fold selectivity over class1 HDACs.; IC50 value: 126/80/36/9 nM for HDAC 4/5/7/9 [1]; Target: class IIa HDACs; MedChem Express HY-18360
      TMP269 is a novel and selective class IIa histone deacetylase inhibitor with IC50s of 126/80/36/9 nM for HDAC 4/5/7/9, respectively; 20-400 fold selectivity over class1 HDACs.;IC50 value: 126/80/36/9 nM for HDAC 4/5/7/9 [1];Target: class IIa HDACs MedChem Express HY-18360

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1797.88
ACD/KOC (pH 5.5): 7434.75
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1799.17
ACD/KOC (pH 7.4): 7440.05
Polar Surface Area: 118 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 381.9±3.0 cm3

Click to predict properties on the Chemicalize site






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