ChemSpider 2D Image | T-5224 | C29H27NO8


  • Molecular FormulaC29H27NO8
  • Average mass517.527 Da
  • Monoisotopic mass517.173645 Da
  • ChemSpider ID25069717

More details:

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

3-{5-[4-(Cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2,3-dihydro-1,2-benzoxazol-6-yl)methoxy]phenyl}propanoic acid [ACD/IUPAC Name]
3-{5-[4-(Cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2,3-dihydro-1,2-benzoxazol-6-yl)methoxy]phenyl}propansäure [German] [ACD/IUPAC Name]
3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2H-1,2-benzoxazol-6-yl)methoxy]phenyl}propanoic acid
530141-72-1 [RN]
Acide 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2,3-dihydro-1,2-benzoxazol-6-yl)méthoxy]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]- [ACD/Index Name]
22801-45-2 [RN]
3-(5-(4-(Cyclopentyloxy)-2-hydroxybenzoyl)-2-((3-hydroxybenzo[d]isoxazol-6-yl)methoxy)phenyl)propanoic acid
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Others MedChem Express HY-12270
      T-5224 is a selective inhibitor of c-Fos/activator protein (AP)-1, attenuates lipopolysaccharide-induced liver injury in mice.; IC50 value:; Target: c-Fos/AP1 inhibitor; in vitro: T-5224 was converted to its acyl O-glucuronide (G2) by UGT1A1 and UGT1A3 and to its hydroxyl O-glucuronide (G3) by several UGTs, but it was not metabolized by the P450s [2].; in vivo: Administration of T-5224 (300 mg kg(-1), p.o.) after intraperitoneal injection of LPS imparted appreciable protection against acute elevations in serum levels of TNF?, HMGB1, ALT/AST as well as in liver tissue levels of MIP-1? and MCP-1, and reduced the lethality (27 %) [1]. MedChem Express HY-12270

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 113.78
ACD/KOC (pH 5.5): 528.77
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 139 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 372.0±3.0 cm3

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