W140 trifluoroacetate salt
| Catalog Number | BL-M001084 |
| CAS Number | 909725-64-0 |
| Description | W140 is an inactive enantiomer of W146, a selective S1P1 antagonist (Ki = 77 nM), binding to the S1P1 receptor with a Ki of 4.6 µM (2a = W146; 2b = W140 in supplemental material). |
 | |
| IUPAC Name | [(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid |
| Synonyms | W140 TFA salt; (S)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (TFA salt); Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-, mono(trifluoroacetate); 2,2,2-trifluoroacetic acid |
| Molecular Weight | 456.39 |
| Molecular Formula | C18H28F3N2O6P |
| Purity | ≥95% |
| Appearance | Crystalline Solid |
| Shelf Life | 1 Year |
| Storage | Store at -20°C |
| Percent Composition | C 47.37%, H 6.18%, F 12.49%, N 6.14%, O 21.03%, P 6.79% |
| Canonical SMILES | CCCCCCC1=CC(=CC=C1)NC(=O)C(CCP(=O)(O)O)N.C(=O)(C(F)(F)F)O |
| InChI | InChI=1S/C16H27N2O4P.C2HF3O2/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22;3-2(4,5)1(6)7/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22);(H,6,7)/t15-;/m0./s1 |
| InChI Key | JDWCNCPWPLHFEX-RSAXXLAASA-N |
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