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
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.
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.
| 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 |
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.
