BAF312 (Siponimod)
(Synonyms: 辛波莫德; BAF-312) 目录号 : GC17201
An S1P1 and S1P5 receptor agonist receptor modulator
Cas No.:1230487-00-9
Sample solution is provided at 25 µL, 10mM.
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BAF312 is a potent and selective agonist of S1P with EC50 value of 0.39nM for S1P1 receptors and 0.98nM for S1P5 receptors, respectively [1].
BAF312 has shown >1000-fold selectivity for S1P1 versus S1P2, S1P3 and S1P4 receptors [1]. In vitro metabolism studies with liver microsomes have shown that the metabolic clearance of BAF312 is high in rat, low to moderate in monkey and human being, and low in dog and mouse. Moreover, BAF312 has been revealed to dose-dependently reduce peripheral lymphocyte counts in Lewis rats [2].
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References:
[1] Gergely P1, Nuesslein-Hildesheim B, Guerini D, Brinkmann V, Traebert M, Bruns C, Pan S, Gray NS, Hinterding K, Cooke NG, Groenewegen A, Vitaliti A, Sing T, Luttringer O, Yang J, Gardin A, Wang N, Crumb WJ Jr, Saltzman M, Rosenberg M, Wallström E. The selective sphingosine 1-phosphate receptor modulator BAF312 redirects lymphocyte distribution and has species-specific effects on heart rate. Br J Pharmacol. 2012 Nov;167(5):1035-47.
[2] Pan S1, Gray NS1, Gao W1, Mi Y1, Fan Y1, Wang X1, Tuntland T1, Che J1, Lefebvre S1, Chen Y1, Chu A1, Hinterding K2, Gardin A2, End P2, Heining P2, Bruns C2, Cooke NG2, Nuesslein-Hildesheim B2 .Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. ACS Med Chem Lett. 2013 Jan 4;4(3):333-7.
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| Cell experiment [1]: | |
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Cell lines |
human atrial myocytes |
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Preparation method |
This compound is soluble in DMSO. General tips for obtaining a higher concentration: Please warm the tube at 37℃ for 10 minutes and/or shake it in the ultrasonic bath for a while. Stock solution can be stored below -20℃ for several months. |
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Reacting condition |
0.001-1000 nM |
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Applications |
In human atrial myocytes, BAF312 concentration-dependently increased GIRK current amplitude with EC50 value of 15.8 nM and reached approximately 80% of the carbachol-induced maximal current activation. |
| Animal experiment [1, 2]: | |
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Animal models |
rat experimental autoimmune encephalomyelitis (EAE) model; Lewis rats |
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Dosage form |
0.03, 0.3 or 3 mg/kg, orally administrated, 24 day; 1 mg/kg, orally administrated |
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Application |
In rat experimental autoimmune encephalomyelitis (EAE) model, BAF312 starting on day 11 significantly inhibited established neurological deficits. BAF312 at 0.3 or 3 mg/kg caused a significant reduction of disease scores (AUC (area under the concentration–time curve) from days 12 to 34). In Lewis rats, BAF312 (Siponimod) (1 mg/kg) dose-dependently reduced peripheral lymphocyte counts. At the Tmax of 8 h postadministration, the lymphocyte counts were decreased by 88%. |
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Other notes |
Please test the solubility of all compounds indoor, and the actual solubility may slightly differ with the theoretical value. This is caused by an experimental system error and it is normal. |
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References: [1] Gergely P1, Nuesslein-Hildesheim B, Guerini D, Brinkmann V, Traebert M, Bruns C, Pan S, Gray NS, Hinterding K, Cooke NG, Groenewegen A, Vitaliti A, Sing T, Luttringer O, Yang J, Gardin A, Wang N, Crumb WJ Jr, Saltzman M, Rosenberg M, Wallstrm E. The selective sphingosine 1-phosphate receptor modulator BAF312 redirects lymphocyte distribution and has species-specific effects on heart rate. Br J Pharmacol. 2012 Nov;167(5):1035-47. [2] Pan S1, Gray NS1, Gao W1, Mi Y1, Fan Y1, Wang X1, Tuntland T1, Che J1, Lefebvre S1, Chen Y1, Chu A1, Hinterding K2, Gardin A2, End P2, Heining P2, Bruns C2, Cooke NG2, Nuesslein-Hildesheim B2 .Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. ACS Med Chem Lett. 2013 Jan 4;4(3):333-7. | |
| Cas No. | 1230487-00-9 | SDF | |
| 别名 | 辛波莫德; BAF-312 | ||
| 化学名 | 1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid | ||
| Canonical SMILES | CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O | ||
| 分子式 | C29H35F3N2O3 | 分子量 | 516.6 |
| 溶解度 | ≥ 194.8mg/mL in DMSO | 储存条件 | Store at -20° C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
 |
1 mg | 5 mg | 10 mg |
| 1 mM | 1.9357 mL | 9.6787 mL | 19.3573 mL |
| 5 mM | 0.3871 mL | 1.9357 mL | 3.8715 mL |
| 10 mM | 0.1936 mL | 0.9679 mL | 1.9357 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet