1689554-51-5
Chemical Structure
PAT-347
- CAS. Nr.: 1689554-51-5
- Formula:C28H21ClF2N2O3S
- Molecular Weight:538.99
IUPAC Name: 3-((6-chloro-7-fluoro-2-methyl-1-(2-oxo-2-(spiro[cyclopropane-1,3'-indolin]-1'-yl)ethyl)-1H-indol-3-yl)thio)-2-fluorobenzoic acid
InChIKey: YFALJJNRFPFPRE-UHFFFAOYSA-N
SMILES: O=C(O)C1=CC=CC(SC2=C(C)N(CC(N3CC4(C5=C3C=CC=C5)CC4)=O)C6=C2C=CC(Cl)=C6F)=C1F
Biological Activity: PAT-347 is an inhibitor of autotaxin (ATX, ENPP-2)[1]. PAT-347 binds only to the hydrophobic channel of ATX, without occupying its hydrophobic pocket and catalytic site[1]. PAT-347 blocks the binding of lysophosphatidylcholine (LPC) to the catalytic site of ATX[2].
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PAT-347 | 98.63% | PAT-347 is an inhibitor of autotaxin (ATX, ENPP-2). PAT-347 binds only to the hydrophobic channel of ATX, without occupying its hydrophobic pocket and catalytic site. PAT-347 blocks the binding of lysophosphatidylcholine (LPC) to the catalytic site of ATX. | ||||||||||||||||||||
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- [1]. Joncour A, et al. Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J Med Chem. 2017 Sep 14;60(17):7371-7392. . [Content Brief]
- [2]. Chen Y, et al. Design, synthesis and anti-fibrosis evaluation of imidazo[1,2-a]pyridine derivatives as potent ATX inhibitors. Bioorg Med Chem. 2021 Sep 15;46:116362. doi: 10.1016/j.bmc.2021.116362. Epub 2021 Aug 13. PMID: 34428714. [Content Brief]
Keywords
