ChemSpider 2D Image | Vidupiprant | C28H27Cl2FN2O6S

Vidupiprant

  • Molecular FormulaC28H27Cl2FN2O6S
  • Average mass609.493 Da
  • Monoisotopic mass608.095093 Da
  • ChemSpider ID28497640

More details:

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

[5-Chlor-4-(2-{[(2-chlor-4-cyclopropylphenyl)sulfonyl]amino}-4-[(2-methyl-2-propanyl)carbamoyl]phenoxy)-2-fluorphenyl]essigsäure [German] [ACD/IUPAC Name]
[5-Chloro-4-(2-{[(2-chloro-4-cyclopropylphenyl)sulfonyl]amino}-4-[(2-methyl-2-propanyl)carbamoyl]phenoxy)-2-fluorophenyl]acetic acid [ACD/IUPAC Name]
1169483-24-2 [RN]
Acide [5-chloro-4-(2-{[(2-chloro-4-cyclopropylphényl)sulfonyl]amino}-4-[(2-méthyl-2-propanyl)carbamoyl]phénoxy)-2-fluorophényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 5-chloro-4-[2-[[(2-chloro-4-cyclopropylphenyl)sulfonyl]amino]-4-[[(1,1-dimethylethyl)amino]carbonyl]phenoxy]-2-fluoro- [ACD/Index Name]
Vidupiprant [USAN]
[1169483-24-2] [RN]
{4-[4-(TERT-BUTYLCARBAMOYL)-2-(2-CHLORO-4-CYCLOPROPYLBENZENESULFONAMIDO)PHENOXY]-5-CHLORO-2-FLUOROPHENYL}ACETIC ACID
2-(4-(4-(tert-butylcarbamoyl)-2-(2-chloro-4-cyclopropylphenylsulfonamido)phenoxy)-5-chloro-2-fluorophenyl)acetic acid
2-{4-[4-(TERT-BUTYLCARBAMOYL)-2-(2-CHLORO-4-CYCLOPROPYLBENZENESULFONAMIDO)PHENOXY]-5-CHLORO-2-FLUOROPHENYL}ACETIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

61OTZ32XNC [DBID]
9387 [DBID]
AMG 853 [DBID]
UN3077 [DBID]
UNII:61OTZ32XNC [DBID]
UNII-61OTZ32XNC [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5701
      Potent dual CRTH2 and prostaglandin D2 (PGD2) receptor antagonist Tocris Bioscience 5701
      Potent dual CRTH2 and prostaglandin D2 (PGD2) receptor antagonist (IC50 values are 8 and 35 nM, respectively in plasma). Inhibits PGD2-induced down modulation of CRTH2 on CD16- granulocytes in human whole blood as well as PGD2-induced cAMP response in platelets. Inhibits PGD2-induced airway constriction in vivo. Also inhibits BRD4 (Kd = 170 nM). Orally bioavailable. Tocris Bioscience 5701
      Prostanoid Receptors Tocris Bioscience 5701

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 736.97
ACD/KOC (pH 5.5): 1326.89
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 7.96
ACD/KOC (pH 7.4): 14.33
Polar Surface Area: 130 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

Click to predict properties on the Chemicalize site


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