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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
PAT-048 is a potent, selective and orally active autotaxin inhibitor, inhibits IL-6 mRNA expression, but shows no effect on autotaxin protein and pulmonary lysophosphatidic acid (LPA) production in lung fibrosis model. PAT-048 shows an IC 50 and IC 90 of 20 nM and 200 nM for autotaxin in mouse plasma. PAT-048 reduces dermal fibrosis in vivo.
| Canonical Smiles | CCCN1C=C(C=N1)N2C(=C(C3=C2C(=C(C=C3)Cl)F)SC4=CC=CC(=C4F)C(=O)O)C |
|---|---|
| IUPAC Name | 3-[6-chloro-7-fluoro-2-methyl-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid |
| InChIKey | QNKMXCMJVQFBLM-UHFFFAOYSA-N |
| INCHI | 1S/C22H18ClF2N3O2S/c1-3-9-27-11-13(10-26-27)28-12(2)21(15-7-8-16(23)19(25)20(15)28)31-17-6-4-5-14(18(17)24)22(29)30/h4-8,10-11H,3,9H2,1-2H3,(H,29,30) |
| Isomeric SMILES | CCCN1C=C(C=N1)N2C(=C(C3=C2C(=C(C=C3)Cl)F)SC4=CC=CC(=C4F)C(=O)O)C |
| PubChem CID | 66765263 |
| MeSH Entry Terms | 3-(6-chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl-1H-indol-3-yl-sulfanyl))-2-fluoro-benzoic sodium salt;PAT-048 |
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