[CAS NO. 1782070-22-7] PAT-505
PRODUCTS SPECIFICATIONS [1782070-22-7]
DESCRIPTION [1782070-22-7]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 473.92 |
| Molecular Formula | C23H18ClF2N3O2S |
| SMILES | O=C(O)C1=CC=CC(SC2=C(C3CC3)N(C4=CN(CC)N=C4)C5=C2C=CC(Cl)=C5F)=C1F |
Summary
PAT-505 is a potent, selective, noncompetitive and orally available autotaxin inhibitor, with an IC 50 of 2 nM in Hep3B cells, 9.7 nM in human blood and 62 nM in mouse plasma.
IC50 & Target
|
Autotaxin 2 nM (IC 50 , In Hep3B cells) |
Autotaxin 9.7 nM (IC 50 , In human blood ) |
Autotaxin 62 nM (IC 50 , In mouse plasma) |
In Vitro
PAT-505 is a potent, selective, noncompetitive and orally available autotaxin inhibitor, with an IC 50 of 2 nM in Hep3B cells, 9.7 nM in human blood and 62 nM in mouse plasma. PAT-505 is selective for ATX versus other ENPP proteins, and shows marginal inhibition of radiolabeled agonist or antagonist binding to the adenosine A3 receptor, MT1 melatonin receptor, prostaglandin E2 EP4 receptor, 5-HT5a serotonin receptor, and GABA-gated Cl - channel with 50%-70% inhibition at 10 µM [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
PAT-505 suppresses ATX lysoPLD activity with an average IC 50 value of 62 nM and an average IC 90 value of 630 nM in mouse plasma, and the IC 90 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] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 48.33 mg/mL ( 101.98 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.1101 mL | 10.5503 mL | 21.1006 mL |
| 5 mM | 0.4220 mL | 2.1101 mL | 4.2201 mL |
| 10 mM | 0.2110 mL | 1.0550 mL | 2.1101 mL |
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1.
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2.
Add each solvent one by one: 10% DMSO >> 90% corn oil
Solubility: ≥ 4.83 mg/mL (10.19 mM); Clear solution
