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ChemicalBook--->CAS DataBase List--->1782070-22-7

1782070-22-7

1782070-22-7 Structure

1782070-22-7 Structure
IdentificationBack Directory
[Name]

PAT-505
[CAS]

1782070-22-7
[Synonyms]

PAT-505
PAT 505,PAT505
Benzoic acid, 3-[[6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl]thio]-2-fluoro-
[Molecular Formula]

C23H18ClF2N3O2S
[MDL Number]

MFCD31563580
[MOL File]

1782070-22-7.mol
[Molecular Weight]

473.92
Chemical PropertiesBack Directory
[Boiling point ]

550.0±50.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 48.33 mg/mL (101.98 mM)
[form ]

Solid
[pka]

2.98±0.10(Predicted)
[color ]

Pale purple to off-white
Hazard InformationBack Directory
[Uses]

PAT-505 is a potent, selective, noncompetitive and orally available autotaxin inhibitor, with an IC50 of 2 nM in Hep3B cells, 9.7 nM in human blood and 62 nM in mouse plasma.
[in vivo]

PAT-505 suppresses ATX lysoPLD activity with an average IC50 value of 62 nM and an average IC90 value of 630 nM in mouse plasma, and the IC90 in rat plasma is ~770 nM. PAT-505 (30 mg/kg, p.o.) significantly reduces fibrotic score, the percentage of PSR-positive area, and α-SMA immunoreactivity in mouse model of nonalcoholic steatohepatitis (NASH)[1].

[IC 50]

Autotaxin: 2 nM (IC50, In Hep3B cells); Autotaxin: 9.7 nM (IC50, In human blood ); Autotaxin: 62 nM (IC50, In mouse plasma)
[storage]

Store at -20°C
[References]

[1] Bain G, et al. Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis. J Pharmacol Exp Ther. 2017 Jan;360(1):1-13. Epub 2016 Oct 17. DOI:10.1124/jpet.116.237156
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