Synonym
BMS-189961, BMS189961, BMS 189961, BMS 961, BMS961, BMS-961
IUPAC/Chemical Name
3-fluoro-4-[[2-hydroxy-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)acetyl]amino]benzoic acid
InChi Key
AANFHDFOMFRLLR-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
SMILES Code
OC(C1=CC(F)=C(NC(C(O)C2=CC(C(C)(C)CCC3(C)C)=C3C=C2)=O)C=C1)=O
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
>3 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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
399.46
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. Klaholz, B.P., Mitschler, A., Belema, M., et al. Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARɣ. Proc. Natl. Acad. Sci. USA 97(12), 6322-6327 (2000).
2. Galdones, E., and Hales, B.F. Retinoic acid receptor gamma-induced misregulation of chondrogenesis in the murine limb bud in vitro. Toxicol. Sci. 106(1), 223-232 (2008).
3. Gericke, J., Ittensohn, J., Mihály, J., et al. Regulation of retinoid-mediated signaling involved in skin homeostasis by RAR and RXR agonists/antagonists in mouse skin. PLoS One 8(4), e62643 (2013).
