Synonym
PF-462991; PF462991; PF 462991; PF-991; PF991; PF 991.
IUPAC/Chemical Name
(1S,3s)-3-(((R)-1-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)amino)cyclobutane-1-carboxylic acid
InChi Key
JRZJZOSWCNBQFS-KPHZKDQSSA-N
InChi Code
InChI=1S/C25H29N3O3/c1-15(2)12-17-4-6-20(7-5-17)24-27-23(28-31-24)19-10-8-18(9-11-19)16(3)26-22-13-21(14-22)25(29)30/h4-11,15-16,21-22,26H,12-14H2,1-3H3,(H,29,30)/t16-,21?,22-/m1/s1
SMILES Code
C[C@@H](N[C@@H]1C[C@H](C(O)=O)C1)C2=CC=C(C3=NOC(C4=CC=C(CC(C)C)C=C4)=N3)C=C2
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
419.53
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. Stabilization of alcohol intoxication-induced cardiovascular instability using sphingosine-1-phosphate (S1P) receptor modulators
By Breslin, Jerome William; Doggett, Travis Matthew
From U.S. Pat. Appl. Publ. (2017), US 20170020826 A1 20170126. | Language: English, Database: CAPLUS
2. No differences observed among multiple clinical S1P1 receptor agonists (functional antagonists) in S1P1 receptor down-regulation and degradation
By Lukas, Susan; Patnaude, Lori; Haxhinasto, Sokol; Slavin, Anthony; Hill-Drzewi, Melissa; Horan, Josh; Modis, Louise Kelly
From Journal of Biomolecular Screening (2014), 19(3), 407-416, 10. | Language: English, Database: CAPLUS
3. Identification of benzoxazole analogs as novel, S1P3 sparing S1P1 agonists
By Deng, Guanghui; Meng, Qinghua; Liu, Qian; Xu, Xuesong; Xu, Qiongfeng; Ren, Feng; Guo, Taylor B.; Lu, Hongtao; Xiang, Jia-Ning; Elliott, John D.; et al. From Bioorganic & Medicinal Chemistry Letters (2012), 22(12), 3973-3977. | Language: English, Database: CAPLUS
4. Methods of treating pain by administering an agent that suppresses sphingosine-1-phosphate biologcial activity
By Salvemini, Daniela. From PCT Int. Appl. (2012), WO 2012015758 A2 20120202. | Language: English, Database: CAPLUS
5. Preparation of oxadiazole cyclobutyl carboxylic acid derivatives as S1P receptor modulators for treating hyperproliferative and autoimmune diseases
By Mickelson, John Waren; Bhattacharya, Samit Kumar; Brown, Matthew Frank; Dorff, Peter Hans; LaGreca, Susan Deborah; Maguire, Robert John; Cornicelli, Joseph Anthony; Brown, David Louis; Jennings, Rex; Walker, John Keith; et al. From PCT Int. Appl. (2009), WO 2009060278 A1 20090514. | Language: English, Database: CAPLUS
