3-[[4-[(E)-N-[[4-(4-methoxyphenyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid | 1418145-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[[4-[(E)-N-[[4-(4-methoxyphenyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
• CAS: 1418145-02-4
• 化学式: C₂₆H₂₈N₂O₄
• 分子量: 432.519
• InChiKey: BPZDYSJGIIBABG-TURZUDJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  80.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-溴苄氯 在 盐酸 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-[[4-[(E)-N-[[4-(4-methoxyphenyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenyl]methylamino]propanoic acid
  参考文献：
  名称：

  Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator

  摘要：

  A novel series of alkoxyimino derivatives as S1P(1), agonists were discovered through de novo design using FTY720 as the chemical starting point. Extensive structure activity relationship studies led to the discovery of (E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid (32, BAF312, Siponimod), which has recently completed phase 2 clinical trials in patients with relapsing-remitting multiple sclerosis.

  DOI：

  10.1021/ml300396r

文献信息

• [EN] IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSES IMMUNOSUPPRESSEURS ET COMPOSITIONS
  申请人：IRM LLC

  公开号：WO2004103306A2

  公开（公告）日：2004-12-02

  The present invention relates to immunosuppressant, process for their production, their uses and pharmaceutical compositions containing them. The invention provides a novel class of compounds useful in the treatment or prevention of diseases or disorders mediated by lymphocyte interactions, particularly diseases associated with EDG receptor mediated signal transduction.

  本发明涉及免疫抑制剂、其生产过程、其用途和包含它们的药物组合物。本发明提供了一种新的化合物类别，可用于治疗或预防淋巴细胞相互作用介导的疾病或疾病，特别是与EDG受体介导的信号转导相关的疾病。
• Immunosuppressant compounds and compositions
  申请人：Pan Shifeng

  公开号：US20050014728A1

  公开（公告）日：2005-01-20

  The present invention relates to immunosuppressant, process for their production, their uses and pharmaceutical compositions containing them. The invention provides a novel class of compounds useful in the treatment or prevention of diseases or disorders mediated by lymphocyte interactions, particularly diseases associated with EDG receptor mediated signal transduction.

  本发明涉及免疫抑制剂，其生产过程，它们的用途以及含有它们的制药组合物。本发明提供了一种新的化合物类别，用于治疗或预防通过淋巴细胞相互作用介导的疾病或疾病，特别是与EDG受体介导的信号转导有关的疾病。
• IMMUNOSUPPRESANT COMPOUNDS AND COMPOSITIONS
  申请人：Pan Shifeng

  公开号：US20090036423A1

  公开（公告）日：2009-02-05

  The present invention relates to immunosuppressant, process for their production, their uses and pharmaceutical compositions containing them. The invention provides a novel class of compounds useful in the treatment or prevention of diseases or disorders mediated by lymphocyte interactions, particularly diseases associated with EDG receptor mediated signal transduction.

  本发明涉及免疫抑制剂，其生产过程，它们的用途以及含有它们的制药组合物。本发明提供了一种新的化合物类别，可用于治疗或预防由淋巴细胞相互作用介导的疾病或紊乱，特别是与EDG受体介导的信号转导相关的疾病。
• Immunosuppressant Compounds and Compositions
  申请人：IRM LLC

  公开号：EP2514743A1

  公开（公告）日：2012-10-24

  The present invention relates to immunosuppressant, process for their production, their uses and pharmaceutical compositions containing them. The invention provides a novel class of compounds of formulae (Ia) and (Ib) useful in the treatment or prevention of diseases or disorders mediated by lymphocyte interactions, particularly diseases associated with EDG receptor mediated signal transduction.

  本发明涉及免疫抑制剂、其生产工艺、用途和含有它们的药物组合物。本发明提供了一类新型的式 (Ia) 和 (Ib) 化合物，可用于治疗或预防由淋巴细胞相互作用介导的疾病或紊乱，特别是与 EDG 受体介导的信号转导有关的疾病。
• Sphingosine 1 phosphate receptor modulators and their use to treat muscle inflammation
  申请人：Novartis AG

  公开号：EP2695615A2

  公开（公告）日：2014-02-12

  The use of an S1P receptor modulator of the formula Ia or Ib: wherein the meaning of the different residues is that indicated in claim 1, in the preparation of a medicament for preventing, inhibiting or treating an inflammatory condition selected from polymyositis, dermatomyositis and nerve-muscle diseases e.g. muscular dystrophies and inclusion body myositis.

  使用式 Ia 或 Ib 的 S1P 受体调节剂： 其中不同残基的含义如权利要求 1 所示，在制备用于预防、抑制或治疗选自多肌炎、皮肌炎和神经肌肉疾病（如肌肉萎缩症和包涵体肌炎）的炎症的药物中的用途。