PAT-048

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 571259

CAS#: 1359983-15-5

Description: PAT-048 is a type III Autotaxin inhibitor.

Chemical Structure

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PAT-048
CAS# 1359983-15-5
Instruction

Theoretical Analysis

MedKoo Cat#: 571259
Name: PAT-048
CAS#: 1359983-15-5
Chemical Formula: C22H18ClF2N3O2S
Exact Mass: 461.08
Molecular Weight: 461.910
Elemental Analysis: C, 57.21; H, 3.93; Cl, 7.67; F, 8.23; N, 9.10; O, 6.93; S, 6.94

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.

Request quote for custom synthesis

Synonym: PAT-048; PAT 048; PAT048

IUPAC/Chemical Name: 3-((6-chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl)thio)-2-fluorobenzoic acid

InChi Key: QNKMXCMJVQFBLM-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H18ClF2N3O2S/c1-3-9-27-11-13(10-26-27)28-12(2)21(15-7-8-16(23)19(25)20(15)28)31-17-6-4-5-14(18(17)24)22(29)30/h4-8,10-11H,3,9H2,1-2H3,(H,29,30)

SMILES Code: CCCN1N=CC(N2C(C(F)=C(Cl)C=C3)=C3C(SC4=CC=CC(C(O)=O)=C4F)=C2C)=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 461.91 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: 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.