Siponimod
Siponimod structure
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Common Name | Siponimod | ||
|---|---|---|---|---|
| CAS Number | 1230487-00-9 | Molecular Weight | 516.595 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 602.0±65.0 °C at 760 mmHg | |
| Molecular Formula | C29H35F3N2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 317.9±34.3 °C | |
Use of SiponimodSiponimod (BAF-312) is a potent and selective sphingosine-1-phosphate (S1P) receptor modulator. It is selective for S1P1 and S1P5 receptors over S1P2, S1P3, and S1P4 (EC50s of 0.39, 0.98, >10,000, >1,000, and 750 nM, respectively.) |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Siponimod |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Siponimod (BAF-312) is a potent and selective sphingosine-1-phosphate (S1P) receptor modulator. It is selective for S1P1 and S1P5 receptors over S1P2, S1P3, and S1P4 (EC50s of 0.39, 0.98, >10,000, >1,000, and 750 nM, respectively.) |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 602.0±65.0 °C at 760 mmHg |
| Molecular Formula | C29H35F3N2O3 |
| Molecular Weight | 516.595 |
| Flash Point | 317.9±34.3 °C |
| Exact Mass | 516.259949 |
| PSA | 62.13000 |
| LogP | 6.90 |
| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | KIHYPELVXPAIDH-APTWKGOFSA-N |
| SMILES | CCc1cc(C(C)=NOCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 |
| Storage condition | -20℃ |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| BAF312 |
| 1-{4-[1-((E)-4-cyclohexyl-3-trifluoromethyl-benzyloxyimino)-ethyl]-2-ethyl-benzyl}-azetidine-3-carboxylic acid |
| BAF-312 |
| Siponimod |
| 1-[4-[N-[4-cyclohexyl-3-(trifluoromethyl)benzyloxy]-1(E)-imino ethyl]-2-ethylbenzyl]azetidine-3-carboxylicacid |
| 1-(4-{1-[(E)-4-cyclohexyl-3-trifluoromethylbenzyloxyimino]ethyl}-2-ethylbenzyl)azetidine-3-carboxylic acid |
| 1-{4-[(1E)-N-{[4-Cyclohexyl-3-(trifluoromethyl)benzyl]oxy}ethanimidoyl]-2-ethylbenzyl}-3-azetidinecarboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the uses of Siponimod? |
| A: Main uses of Siponimod: Siponimod (BAF-312) is a potent and selective sphingosine-1-phosphate (S1P) receptor modulator. It is selective for S1P1 and S1P5 receptors over S1P2, S1P3, and S1P4 (EC50s of 0.39, 0.98, >10,000, >1,000, and 750 nM, respectively.). |
| Q: What is the InChIKey of Siponimod? |
| A: InChIKey of Siponimod is KIHYPELVXPAIDH-APTWKGOFSA-N. |
| Q: What is the CAS number of Siponimod? |
| A: CAS number of Siponimod is 1230487-00-9. |
| Q: What is the molecular weight of Siponimod? |
| A: Molecular weight of Siponimod is 516.595. |
| Q: What is the boiling point of Siponimod? |
| A: Boiling point of Siponimod is 602.0±65.0 °C at 760 mmHg. |
| Q: What are the storage conditions for Siponimod? |
| A: Storage conditions for Siponimod: -20℃. |
| Q: What is the molecular formula of Siponimod? |
| A: Molecular formula of Siponimod is C29H35F3N2O3. |
| Q: What is the English name of Siponimod? |
| A: The English name of Siponimod is Siponimod. |
| Q: What is the polar surface area (PSA) of Siponimod? |
| A: Polar surface area (PSA) of Siponimod is 62.13000. |
| Q: What is the LogP of Siponimod? |
| A: LogP of Siponimod is 6.90. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |