(3R,8R,8aS)-hexahydro-8-(4-methoxyphenyl)-3-(1-methylethyl)pyrrolo[1,2-a]pyrazine-1,4-dioxide | 302325-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3R,8R,8aS)-hexahydro-8-(4-methoxyphenyl)-3-(1-methylethyl)pyrrolo[1,2-a]pyrazine-1,4-dioxide
• 英文别名: (3R,8R,8aS)-8-(4-methoxyphenyl)-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• CAS: 302325-68-4
• 化学式: C₁₇H₂₂N₂O₃
• 分子量: 302.373
• InChiKey: WIMQMWLVRAJVRY-KFWWJZLASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PYRROLIDINCARBOLYLAMINO CYCLIC DISULFIDES AS VCAM-VLA4 ANTAGONISTS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1171452B1

  公开（公告）日：2006-08-23
• US6265572B1
  申请人：——

  公开号：US6265572B1

  公开（公告）日：2001-07-24
• [EN] PYRROLIDINCARBONYLAMINO CYCLIC DISULFIDES<br/>[FR] DISULFURES CYCLIQUES DE PYRROLIDINCARBONYLAMINO
  申请人：HOFFMANN LA ROCHE

  公开号：WO2000063234A2

  公开（公告）日：2000-10-26

  Compounds of formula (I) are described which have activity as anti-inflammatory agents. Cyclic disulfide compounds are provided which inhibit of binding of cells to endothelium. Such compounds are useful for treating inflammatory diseases, such as asthma, whose symptoms and/or damage are related to the binding of cell adhesion molecules to integrin expressing cells.