ChemSpider 2D Image | CAY10603 | C22H30N4O6

CAY10603

  • Molecular FormulaC22H30N4O6
  • Average mass446.497 Da
  • Monoisotopic mass446.216522 Da
  • ChemSpider ID24608651

More details:

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

[4-(3-{[7-(Hydroxyamino)-7-oxoheptyl]carbamoyl}-1,2-oxazol-5-yl)phényl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1045792-66-2 [RN]
2-Methyl-2-propanyl [4-(3-{[7-(hydroxyamino)-7-oxoheptyl]carbamoyl}-1,2-oxazol-5-yl)phenyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(3-{[7-(hydroxyamino)-7-oxoheptyl]carbamoyl}-1,2-oxazol-5-yl)phenyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]carbonyl]-5-isoxazolyl]phenyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
CAY10603
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
TERT-BUTYL N-[4-(3-{[6-(HYDROXYCARBAMOYL)HEXYL]CARBAMOYL}-1,2-OXAZOL-5-YL)PHENYL]CARBAMATE
[1045792-66-2] [RN]
{4-[3-(6-Hydroxycarbamoylhexylcarbamoyl)isoxazol-5-yl]phenyl}carbamic acid tert-butyl ester
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      HDAC inhibitor TargetMol T1983

    • Bio Activity:

      CAY10603 is a potent and selective inhibitor of HDAC6 with IC50 of 2 pM, as compared with 271, 252, 0.42, 6851, and 90.7 nM for HDAC1, 2, 3, 8, and 10, respectively.; IC50 value: 2 pM [1]; Target: HDAC6 inhibitor; CAY10603 prevents the growth of several pancreatic cancer cell lines (IC50 = 0.1-1 ?M). MedChem Express HY-18613
      Cell Cycle/DNA Damage MedChem Express HY-18613
      Cell Cycle/DNA Damage; MedChem Express HY-18613
      Chromatin/Epigenetic TargetMol T1983
      HDAC MedChem Express HY-18613
      HDAC6 TargetMol T1983

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.74
ACD/KOC (pH 5.5): 261.57
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.60
ACD/KOC (pH 7.4): 259.42
Polar Surface Area: 143 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 362.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement