ChemSpider 2D Image | AZ505 | C29H38Cl2N4O4


  • Molecular FormulaC29H38Cl2N4O4
  • Average mass577.542 Da
  • Monoisotopic mass576.226990 Da
  • ChemSpider ID26328264

More details:

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

1035227-43-0 [RN]
AZ 505
N-Cyclohexyl-N3-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-β-alaninamide [ACD/IUPAC Name]
N-Cyclohexyl-N3-[2-(3,4-dichlorophényl)éthyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)éthyl]amino}éthyl)-β-alaninamide [French] [ACD/IUPAC Name]
N-Cyclohexyl-N3-[2-(3,4-dichlorphenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-β-alaninamid [German] [ACD/IUPAC Name]
Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]- [ACD/Index Name]
1035227-43-0 (free base)
1035227-44-1 [RN]
AZ 505;AZ-505
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      AZ505 is a potent and highly selective inhibitor of the oncogenic protein SMYD2(IC50=0.12 uM) with potential anticancer activity, >600 fold than SMYD3(IC50>83.3 uM); DOT1L(IC50>83.3 uM);EZH2(IC50>83.3 uM).; IC50 Value: 0.12 uM [1]; Target: SYMD2; The kinetics of AZ505 binding to SMYD2 were determined by inhibition kinetic experiments using ?lter binding assays. MedChem Express HY-15226
      Cell Cycle/DNA Damage MedChem Express HY-15226
      Cell Cycle/DNA Damage; MedChem Express HY-15226
      HMTase MedChem Express HY-15226

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 427.1±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 19.31
Polar Surface Area: 103 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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