3-[(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-phenylpropan-1-one | 132427-84-0

• 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-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-phenylpropan-1-one
• CAS: 132427-84-0；143667-25-8
• 化学式: C₂₉H₃₉NO
• 分子量: 417.635
• InChiKey: NKRVJOPDRCJBTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  31
• 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：
  2

反应信息

• 作为反应物：
  描述：

  3-[(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-phenylpropan-1-one 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-phenylpropan-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-氯代苯丙酮 、 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-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methylamino]-1-phenylpropan-1-one
  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

• 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.