WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H571260
CAS#: 1782070-22-7 (free)
Description: PAT-505 is a potent, selective, non-competitive type III autotaxin inhibitor. PAT-505 displays significant inhibition of ATX activity in plasma and liver tissue after oral administration. PAT-505 treatment results in a small, but significant, improvement in fibrosis with only minor improvements in hepatocellular ballooning and hepatic inflammation. PAT-505 may represent a novel therapeutic approach for the treatment of multiple fibrotic liver diseases, including NASH.
Hodoodo Cat#: H571260
Name: PAT-505
CAS#: 1782070-22-7 (free)
Chemical Formula: C23H18ClF2N3O2S
Exact Mass: 473.08
Molecular Weight: 473.920
Elemental Analysis: C, 58.29; H, 3.83; Cl, 7.48; F, 8.02; N, 8.87; O, 6.75; S, 6.76
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Related CAS #: 1782070-22-7 (free) 1782070-85-2 (sodium)
Synonym: PAT-505; PAT 505; PAT505
IUPAC/Chemical Name: 3-((6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl)thio)-2-fluorobenzoic acid
InChi Key: BQMMCRXYIIKAOB-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H18ClF2N3O2S/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31/h3-5,8-12H,2,6-7H2,1H3,(H,30,31)
SMILES Code: CCN1N=CC(N2C(C(F)=C(Cl)C=C3)=C3C(SC4=CC=CC(C(O)=O)=C4F)=C2C5CC5)=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info: Autotaxin (ATX) is a secreted enzyme that plays a major role in development of diseases like cancer, fibrotic diseases, and inflammation, among others. In recent years, numerous ATX inhibitors were described in the literature and patented with possible application in the treatment of diverse pathologies such as cancer, fibrotic diseases, inflammation, pain, and angiogenesis, among others.
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The following data is based on the product molecular weight 473.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
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| In vivo protocol: |
1: Bain G, Shannon KE, Huang F, Darlington J, Goulet L, Prodanovich P, Ma GL,
Santini AM, Stein AJ, Lonergan D, King CD, Calderon I, Lai A, Hutchinson JH,
Evans JF. 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.
PubMed PMID: 27754931.
2: Joncour A, Desroy N, Housseman C, Bock X, Bienvenu N, Cherel L, Labeguere V, Peixoto C, Annoot D, Lepissier L, Heiermann J, Hengeveld WJ, Pilzak G, Monjardet A, Wakselman E, Roncoroni V, Le Tallec S, Galien R, David C, Vandervoort N, Christophe T, Conrath K, Jans M, Wohlkonig A, Soror S, Steyaert J, Touitou R, Fleury D, Vercheval L, Mollat P, Triballeau N, van der Aar E, Brys R, Heckmann B. Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J Med Chem. 2017 Aug 18. doi: 10.1021/acs.jmedchem.7b00647. [Epub ahead of print] PubMed PMID: 28731719.
