Related CAS #
2891706-78-6
Synonym
BAY-5094; BAY5094; BAY 5094
IUPAC/Chemical Name
4-chloro-N1-(3,4-difluorobenzyl)-6-fluoro-N3-(4-(2-hydroxypropan-2-yl)-2-methylphenyl)isophthalamide
InChi Key
MURBOCBNFZAKJP-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H22ClF3N2O3/c1-13-8-15(25(2,3)34)5-7-22(13)31-24(33)16-10-17(20(28)11-18(16)26)23(32)30-12-14-4-6-19(27)21(29)9-14/h4-11,34H,12H2,1-3H3,(H,30,32)(H,31,33)
SMILES Code
O=C(NCC1=CC=C(F)C(F)=C1)C2=C(F)C=C(Cl)C(C(NC3=CC=C(C(C)(O)C)C=C3C)=O)=C2
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
490.91
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. Orsi DL, Ferrara SJ, Siegel S, Friberg A, Bouché L, Pook E, Lienau P, Bluck JP, Lemke CT, Akcay G, Stellfeld T, Meyer H, Pütter V, Holton SJ, Korr D, Jerchel-Furau I, Pantelidou C, Strathdee CA, Meyerson M, Eis K, Goldstein JT. Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg Med Chem. 2023 Jan 15;78:117130. doi: 10.1016/j.bmc.2022.117130. Epub 2022 Dec 13. PMID: 36542958.
