N-methyl-N-(3-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)glycine | 1246527-75-2

• 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: N-methyl-N-(3-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)glycine
• 英文别名: 2-[methyl-[[3-[5-[4-(2-methylphenyl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid
• CAS: 1246527-75-2
• 化学式: C₂₆H₂₂F₃N₃O₃
• 分子量: 481.474
• InChiKey: BONPWAUJAKHZCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  tert-butyl [{3-[amino(hydroxyimino)methyl]benzyl}(methyl)amino]acetate 、 2′-methyl-2-(trifluoromethyl)-[1,1′-biphenyl]-4-carboxylic acid 生成 tert-butyl N-methyl-N-(3-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)glycinate 、 N-methyl-N-(3-{5-[2'-methyl-2-(trifluoromethyl)biphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzyl)glycine
  参考文献：
  名称：

  OXADIAZOLE DERIVATIVES

  摘要：

  本发明涉及式I的噁唑烷化合物。这些化合物在治疗自身免疫性疾病（例如多发性硬化症）方面是有用的。

  公开号：

  US20120035226A1

文献信息

• [EN] OXADIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXADIAZOLE
  申请人：MERCK SERONO SA

  公开号：WO2010112461A1

  公开（公告）日：2010-10-07

  The invention relates to compounds of formula (I); wherein R1, R2, Ra, Rb, W, Q and S have the meanings given in claim 1. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  该发明涉及化合物的公式(I)；其中R1、R2、Ra、Rb、W、Q和S具有权利要求1中给定的含义。这些化合物在治疗自身免疫性疾病，如多发性硬化症等方面是有用的。
• Oxadiazole derivatives
  申请人：Quattropani Anna

  公开号：US08802704B2

  公开（公告）日：2014-08-12

  The invention relates to oxadiazole compounds of formula I. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  本发明涉及式I的噁唑化合物。该化合物可用于治疗自身免疫性疾病，如多发性硬化症等。
• US8802704B2
  申请人：——

  公开号：US8802704B2

  公开（公告）日：2014-08-12
• [EN] COMPOSITIONS OF ANIONS AND CATIONS WITH PHARMACOLOGICAL ACTIVITY<br/>[FR] COMPOSITIONS D'ANIONS ET DE CATIONS AYANT UNE ACTIVITÉ PHARMACOLOGIQUE
  申请人：MERCK PATENT GMBH

  公开号：WO2016192831A1

  公开（公告）日：2016-12-08

  The present invention relates to compositions comprising an organic compound (a) and a Weakly Coordinating Anion (WCA) (b), the use of these compositions as medicament as well as for the treatment of specific diseases and compounds of WCAs with suitable counter cations. The compositions of the present invention exhibit improved solubility and/or bioavailability when compared to the organic compounds (a) as such or to salts of the organic compounds (a) with usual counter anions, i.e., non-WCAs.