ChemSpider 2D Image | Nexturastat A | C19H23N3O3

Nexturastat A

  • Molecular FormulaC19H23N3O3
  • Average mass341.404 Da
  • Monoisotopic mass341.173950 Da
  • ChemSpider ID28663140

More details:






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

1403783-31-2 [RN]
4-{[Butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamid [German] [ACD/IUPAC Name]
4-{[Butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide [ACD/IUPAC Name]
4-{[Butyl(phénylcarbamoyl)amino]méthyl}-N-hydroxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[butyl[(phenylamino)carbonyl]amino]methyl]-N-hydroxy- [ACD/Index Name]
Nexturastat A
[1403783-31-2]
4-​[[butyl[(phenylamino​)​carbonyl]​amino]​methyl]​-​N-​hydroxy-benzamide
4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide
4-?[[butyl[(phenylamino?)?carbonyl]?amino]?methyl]?-?N-?hydroxy-benzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2359
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2359
      no pictogram Axon Medchem 2359
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2359
      Warning Axon Medchem 2359
    • Target Organs:

      HDAC inhibitor TargetMol T1819
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-16699
      Cell Cycle/DNA Damage; MedChem Express HY-16699
      Chromatin/Epigenetic TargetMol T1819
      HDAC MedChem Express HY-16699
      HDAC6 TargetMol T1819
      Nexturastat A is a potent and selective HDAC6 inhibitor with IC50 of 5 nM; no inhibition on other HDAC forms. MedChem Express
      Nexturastat A is a potent and selective HDAC6 inhibitor with IC50 of 5 nM; no inhibition on other HDAC forms.; IC50 value: 5 nM [1]; Target: HDAC6 inhibitor; Nexturastat A displayed low micromolar activity compared to the low nanomolar activity against HDAC6. MedChem Express HY-16699
      Nexturastat A is a potent and selective HDAC6 inhibitor with IC50 of 5 nM; no inhibition on other HDAC forms.;IC50 value: 5 nM [1];Target: HDAC6 inhibitorNexturastat A displayed low micromolar activity compared to the low nanomolar activity against HDAC6. Moreover, it also demonstrated high levels of selective inhibition against members of the related Class 2 HDAC isozymes reaching >1000-fold selective in some cases. Compared to the pan-selective HDACI LBH589, Nexturastat A is approximately 100-fold less potent in inducing murine B16 melanoma cell death. MedChem Express HY-16699

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.83
ACD/KOC (pH 5.5): 459.86
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.63
ACD/KOC (pH 7.4): 444.97
Polar Surface Area: 82 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site






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