CAS: 1230487-00-9; (E)-1-(4-(1-(((4-Cyclohexyl-3-(Trifluoromethyl)Benzyl)Oxy)Imino)Ethyl)-2-Ethylbenzyl)Azetidine-3-Carboxylic Acid
该化合物是一种主要用于治疗多发性硬化症的合成化合物,特别是其调节免疫系统的能力.它作为闪烁剂-1-磷磷受体调节器,具体针对在淋巴细胞贩运和免疫反应中发挥关键作用的S1P受体.这个机制有助于减少循环性淋巴细胞的数量,从而减轻与多发性硬化有关的发炎过程.Siponimod 的特点是其口服生物利用率相对较高,半衰期允许一次性服用.该复合物展示了一种有利的药用植物皮质特征,主要通过细胞细胞细胞P450酶在肝脏中出现新陈代谢.其安全特征包括常见副作用,如头痛,高血压和肝酶升高,需要在治疗期间进行监测.
- 英文名称(E)-1-(4-(1-(((4-Cyclohexyl-3-(Trifluoromethyl)Benzyl)Oxy)Imino)Ethyl)-2-Ethylbenzyl)Azetidine-3-Carboxylic Acid
- 中文名称辛波莫德
- IUPAC名称(E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid
- 其它别名Siponimod; Siponimod [inn]; Mayzent; Siponimod [who-Dd]; Siponimod [usan]; 1-[[4-[(E)-N-[[4-Cyclohexyl-
- CAS编号1230487-00-9
- MFCD编号:MFCD26142651
- FDA UNII编号:RR6P8L282I
- 分子式:C29H35F3N2O3分子量:516.6
- 产品CID: 333572
- 同类组份化合物CAS1230487-00-9 (free base)1234627-85-0 (fumarate)
- 产品分类Inhibitors/Agonists → GPCR/G Protein → LPL Receptor
- 相似结构搜索
- InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N
- KIHYPELVXPAIDH-HNSNBQBZSA-N
- 计算化学: 氢键受体数8.0氢键供体数1.0可旋转键数9.0
物理性质
MSDS等安全信息
上下游产品
4-[(1E)-1-([[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino)ethyl]-2-ethylbenzaldehyde 3-azetidinecarboxylic acid 3-bromo-4-methylacetophenone 1-[3-bromo-4-(hydroxymethyl)phenyl]ethan-1-one合成工艺路线路线简述
- 合成目标产物 Baf-312(Siponimod) 主要起始原料 Benzaldehyde, 4-[(1E)-1-[[[4-Cyclohexyl-3-(Trifluoromethyl)Phenyl]Methoxy]Imino]Ethyl]-2-Ethyl- And 3-Azetidinecarboxylic Acid
- (文献来源)合成步骤主要原料 Benzaldehyde, 4-[(1E)-1-[[[4-Cyclohexyl-3-(Trifluoromethyl)Phenyl]Methoxy]Imino]Ethyl]-2-Ethyl- 和 3-Azetidinecarboxylic Acid
海关参考信息
- 2902600000-乙苯
2902700000-异丙基苯
2905121000-正丙醇
2906210000-苄醇 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:US-2023047961-A1
优先权日:2019-12-03
标 题 :The cholesterol-syntesis intermediates for treatment demyelinating disorders
发明人：BERGHOFF STEFAN; SAHER GESINE
权利人:MAX PLANCK GESELLSCHAFT
摘要:The present invention relates to a cholesterol-synthesis intermediate as pharmaceutically active agent and/or pharmaceutical composition comprising the cholesterol-synthesis intermediate optionally together with one or two further pharmaceutically active agent(s) for use in the prophylaxis and/or treatment of demyelinating disorders/diseases, in particular multiple sclerosis.
专利号:CN-112745244-B
优先权日:2019-10-30
标 题 :A kind of intermediate of siponimod and its synthesis method
专利号:CN-112745244-A
优先权日:2019-10-30
标题 :A kind of intermediate of simpomod and its synthesis method
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Drugs and Lactation Database (LactMed®) [Internet]. Bethesda (MD): National Institute of Child Health and Human Development; 2006–. Siponimod. 2026 Jan 15. 2012–. 151(10):1375-1384. Spanish. doi: 10.4067/s0034-98872023001001375. 1994–. Siponimod (Mayzent®). 2024 Apr. 23(4):331-338. doi: 10.1007/s40268-023-00434-6. Epub 2023 Aug 28.
6: Kane M. Siponimod Therapy and CYP2C9 Genotype. 2023 Aug 9. In: Pratt VM, Scott SA, Pirmohamed M, Esquivel B, Kattman BL, Malheiro AJ, editors. Medical Genetics Summaries [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2012–. 23(1):286. doi: 10.1186/s12883-023-03333-0.
8: Díaz-Villamarín X, Piñar-Morales R, Barrero-Hernández FJ, Antúnez-Rodríguez A, Cabeza-Barrera J, Morón-Romero R. Pharmacogenetics of siponimod: A systematic review. Biomed Pharmacother. 2022 Sep;153:113536. doi: 10.1016/j.biopha.2022.113536. Epub 2022 Aug 12. 1994–. Siponimod (Mayzent®). 2022 Jul. 36(7):703-719. doi: 10.1007/s40263-022-00927-z. Epub 2022 Jun 20.
合成参考文献
参考文献:10.1186/s12883-020-01882-2
摘要:Kern DM, Cepeda MS. Treatment patterns and comorbid burden of patients newly diagnosed with multiple sclerosis in the United States. BMC Neurology. 2020 Aug 11;20(1):296. doi: 10.1186/s12883-020-01882-2.
参考文献:10.2147/ijn.s248667
摘要:Gong K, Dong Y, Wang L, Duan Y, Yu J, Sun Y, Bai M, Duan Y. Nanoparticle BAF312@CaP-NP Overcomes Sphingosine-1-Phosphate Receptor-1-Mediated Chemoresistance Through Inhibiting S1PR1/P-STAT3 Axis in Ovarian Carcinoma. Int J Nanomedicine. 2020;15():5561–71.
📝 需求与反馈
尽可能描述清楚需求与问题信息
