2-hydroxy-N-[2-hydroxy-3-(4-{5-[5-(isopropylamino-methyl)-4-methyl-thiophene-2-yl]-[1,2,4]oxadiazol-3-yl}-2,6-dimethyl-phenoxy)-propyl]-ethanamide | 1160954-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-hydroxy-N-[2-hydroxy-3-(4-{5-[5-(isopropylamino-methyl)-4-methyl-thiophene-2-yl]-[1,2,4]oxadiazol-3-yl}-2,6-dimethyl-phenoxy)-propyl]-ethanamide
• 英文别名: 2-hydroxy-N-[2-hydroxy-3-(4-{5-[5-(isopropylamino-methyl)-4-methyl-thiophen-2-yl]-[1,2,4]oxadiazol-3-yl}-2,6-dimethyl-phenoxy)-propyl]-ethanamide；2-hydroxy-N-[2-hydroxy-3-(4-{5-[5-(isopropylamino-methyl)-4-methyl-thiophen-2-yl]-[1,2,4]oxadiazol-3-yl}-2,6-dimethyl-phenoxy)-propyl]-acetamide；N-[3-[2,6-dimethyl-4-[5-[4-methyl-5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
• CAS: 1160954-28-8
• 化学式: C₂₄H₃₂N₄O₅S
• 分子量: 488.608
• InChiKey: ZRVXUIOXNYUQGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  158
• 氢给体数：
  4
• 氢受体数：
  9

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).