CJ-42794 - CAS 847728-01-2

CJ-42794 is a selective prostaglandin E receptor subtype 4 (EP4) antagonist, inhibits [3H]-PGE2 binding to the human EP4 receptor with a mean pKi of 8.5, a binding affinity that was at least 200-fold more selective for the human EP4 receptor than other human EP receptor subtypes (EP1, EP2, and EP3).
IC50 value: 8.5 (pKi ) [1]
Target: EP4
in vitro: CJ-042794 competitively inhibits PGE2-evoked elevations of intracellular cAMP levels in HEK293 cells overexpressing human EP4receptor with a mean pA2 value of 8.6. PGE2 inhibits the lipopolysaccharide (LPS)-induced production of tumor necrosis factor α (TNFα) in human whole blood (HWB); CJ-042794 reverses the inhibitory effects of PGE2 on LPS-induced TNFα production in a concentration-dependent manner. [1]
in vivo: CJ-42794 significantly delays the ulcer healing in rats and mice. The expression of VEGF in primary rat gastric fibroblasts was increased by PGE2 or AE1-329 (EP4 agonist), and these responses were both attenuated by coadministration of CJ-42794.[2]

Catalog Number: I005074

CAS Number: 847728-01-2

PubChem Substance ID:355037281

Molecular Formula: C22H17ClFNO4

Molecular Weight:413.8

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]-benzoic acid

Property

Molecular Formula: C22H17ClFNO4
Molecular Weight413.8
Target:Prostaglandin Receptor
SolubilityDMSO: ≥ 28 mg/mL
Purity≥95%
StorageStore at -20°C
IC508.5 (pKi ) [1]

Computed Descriptor

InChIInChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1
InChIKeyMWBNCZHVEXULBD-ZDUSSCGKSA-N
SMILESFC1=CC=C(OC2=C(C(N[C@@H](C)C3=CC=C(C(O)=O)C=C3)=O)C=C(Cl)C=C2)C=C1