(R)-3-[2-ethyl-4-(5-{4-ethyl-5-[(methyl-propyl-amino)-methyl]-thiophen-2-yl}-[1,2,4]oxadiazol-3-yl)-6-methyl-phenoxy]-propane-1,2-diol | 1160954-87-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (R)-3-[2-ethyl-4-(5-{4-ethyl-5-[(methyl-propyl-amino)-methyl]-thiophen-2-yl}-[1,2,4]oxadiazol-3-yl)-6-methyl-phenoxy]-propane-1,2-diol
• 英文别名: (2R)-3-[2-ethyl-4-[5-[4-ethyl-5-[[methyl(propyl)amino]methyl]thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
• CAS: 1160954-87-9
• 化学式: C₂₅H₃₅N₃O₄S
• 分子量: 473.637
• InChiKey: CZBNOLRKESAHGI-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1
  申请人：Bolli Martin

  公开号：US20100261702A1

  公开（公告）日：2010-10-14

  The invention relates to novel thiophene derivatives (1), their preparation and their use as pharmaceutically active compounds.Said compounds particularly act as immunomodulating agents. Formula (I).

  这项发明涉及新型噻吩衍生物（1），它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫调节剂。公式（I）。
• NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2222667A2

  公开（公告）日：2010-09-01
• US8148410B2
  申请人：——

  公开号：US8148410B2

  公开（公告）日：2012-04-03
• [EN] NOVEL THIOPHENE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DU THIOPHÈNE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009074950A2

  公开（公告）日：2009-06-18

  The invention relates to novel thiophene derivatives (l), their preparation and their use as pharmaceutically active compounds.Said compounds particularly act as immunomodulating agents. Formula (I).