| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1230487-00-9 |
| Catalog No. | 2A-3186901 |
| Chinese Name | 辛波莫德 |
| Synonyms | BAF312; BAF-312; Siponimod |
| Molecular Formula | C29H35F3N2O3 |
| Molecular Weight | 516.60 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 602.0±65.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Siponimod (BAF-312) is a potent, selective sphingosine-1-phosphate (S1P) receptor modulator. It is more selective for S1P1 and S1P5 receptors than S1P2, S1P3 and S1P4 (EC50 are 0.39, 0.98, 10,000, 1,0 |
| PubChem ID | 87331718 |
| MDL Number | MFCD26142651 |
| SMILES | CCc1cc(C(C)=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 |
| InChI | InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ |
| InChI Key | KIHYPELVXPAIDH-APTWKGOFSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Transport Info | Product name: Simpomod (BAF312) |
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