3-([1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro7-(1-methylethyl)-1-phenanthrenyl]methylamino)-1-(4-fluorophenyl)-1-propanone | 143667-14-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-([1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro7-(1-methylethyl)-1-phenanthrenyl]methylamino)-1-(4-fluorophenyl)-1-propanone
• 英文别名: 3-[(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-fluorophenyl)propan-1-one
• CAS: 143667-14-5
• 化学式: C₂₉H₃₈FNO
• 分子量: 435.625
• InChiKey: MGGPJCFAVZRSRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-([1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro7-(1-methylethyl)-1-phenanthrenyl]methylamino)-1-(4-fluorophenyl)-1-propanone 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 3-[(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-(4-fluorophenyl)propan-1-ol
  参考文献：
  名称：

  Anti-inflammatory phospholipase-A2 inhibitors. II. Design, synthesis and structure-activity relationship

  摘要：

  The design and synthesis of a novel series of phospholipase-A2 (PLA2) inhibitor with antiinflammatory activity was based on a systematic structure-activity relationship (SAR) analysis.

  DOI：

  10.1016/0223-5234(92)90138-q
• 作为产物：
  描述：

  3'-氯-4-氟苯丙酮 、 18-aminoabieta-8,11,13-triene 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 3-([1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro7-(1-methylethyl)-1-phenanthrenyl]methylamino)-1-(4-fluorophenyl)-1-propanone
  参考文献：
  名称：

  Anti-inflammatory phospholipase-A2 inhibitors. II. Design, synthesis and structure-activity relationship

  摘要：

  The design and synthesis of a novel series of phospholipase-A2 (PLA2) inhibitor with antiinflammatory activity was based on a systematic structure-activity relationship (SAR) analysis.

  DOI：

  10.1016/0223-5234(92)90138-q

文献信息

• Phospholipase Inhibitors Localized in the Gastrointestinal Lumen
  申请人：Charmot Dominique

  公开号：US20070292385A1

  公开（公告）日：2007-12-20

  The present invention provides methods and compositions for the treatment of phospholipase-related conditions. In particular, the invention provides a method of treating insulin-related, weight-related conditions and/or cholesterol-related conditions in an animal subject. The method generally involves the administration of a non-absorbed and/or effluxed phospholipase A2 inhibitor that is localized in a gastrointestinal lumen.
• US4948813A
  申请人：——

  公开号：US4948813A

  公开（公告）日：1990-08-14
• Anti-inflammatory phospholipase-A2 inhibitors. II. Design, synthesis and structure-activity relationship
  作者：W Wilkerson、I DeLucca、W Galbraith、J Kerr

  DOI：10.1016/0223-5234(92)90138-q

  日期：1992.9

  The design and synthesis of a novel series of phospholipase-A2 (PLA2) inhibitor with antiinflammatory activity was based on a systematic structure-activity relationship (SAR) analysis.