For research use only. Not for therapeutic Use.
Potent and selective prostaglandin D2 (PGD2) receptor 1 (DP1) antagonist; Ki values to be 0.57 nM and 750 nM for DP1 and DP2 receptors respectively
| Catalog Number | I047540 |
| CAS Number | 572874-50-1 |
| Molecular Formula | C21H18ClFNNaO4S |
| Purity | ≥95% |
| IUPAC Name | sodium;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate |
| InChI | InChI=1S/C21H19ClFNO4S.Na/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12;/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26);/q;+1/p-1/t13-;/m1./s1 |
| SMILES | CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)[O-])CC4=CC=C(C=C4)Cl)F.[Na+] |
| Reference | K Chang et al. Antagonism of the prostaglandin D2 receptor 1 suppresses nicotinic acid-induced vasodilation in mice and humans. PNAS 2006, 103(17), 6682-6687.
CF Sturino et al. Discovery of a potent and selective prostaglandin D2 receptor antagonist, [(3R)-4-(4-chloro-benzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-acetic acid (MK-0524). J. Med. Chem. 2007, 50(4), 794-806. |
