PAT-505

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MedKoo CAT#: 571260

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.

Chemical Structure

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PAT-505
CAS# 1782070-22-7 (free)
Instruction

Theoretical Analysis

MedKoo Cat#: 571260
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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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:
In vitro protocol:
In vivo protocol:

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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.