WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H571258
CAS#: 1781233-72-4 (racemate)
Description: PAT-494 is a type II Autotaxin inhibitor.
Hodoodo Cat#: H571258
Name: PAT-494
CAS#: 1781233-72-4 (racemate)
Chemical Formula: C20H16FN3O2
Exact Mass: 349.12
Molecular Weight: 349.370
Elemental Analysis: C, 68.76; H, 4.62; F, 5.44; N, 12.03; O, 9.16
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Related CAS #: 1781233-84-8 (S-isomer) 1781233-72-4 (racemate)
Synonym: PAT-494; PAT 494; PAT494
IUPAC/Chemical Name: 6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
InChi Key: LRGAZQBFSHLAGN-UHFFFAOYSA-N
InChi Code: InChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)10-23-16-4-2-1-3-14(16)15-9-17-19(25)22-20(26)24(17)11-18(15)23/h1-8,17H,9-11H2,(H,22,25,26)
SMILES Code: FC(C=C1)=CC=C1CN2C3=CC=CC=C3C4=C2CN(C(NC5=O)=O)C5C4
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: | |
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The following data is based on the product molecular weight 349.37 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: | |
In vitro protocol: | |
In vivo protocol: |
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.