5-[2-(4-bromomethylene-7a-methyloctahydroinden-1-yl)propyl]-3-propyl-1-phenethyl-3-trimethyl-silanyloxypyrrolidin-2-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-[2-(4-bromomethylene-7a-methyloctahydroinden-1-yl)propyl]-3-propyl-1-phenethyl-3-trimethyl-silanyloxypyrrolidin-2-one
• 英文别名: 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one
• 化学式: C₃₂H₅₀BrNO₂Si
• 分子量: 588.744
• InChiKey: AEPNSGSJAJOJDY-QTYCNSDRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.74
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-[2-(4-bromomethylene-7a-methyloctahydroinden-1-yl)propyl]-3-propyl-1-phenethyl-3-trimethyl-silanyloxypyrrolidin-2-one 、 (3S,5R)-3,5-bis(t-butyldimethylsilyloxy)octa-1-en-7-yne 在 [Pd₂(dba)3]*CHCl₃ 、 三苯基膦 作用下， 以 三乙胺 、 甲苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Synthesis and Biological Activities of VDR Antagonists; 25-Modified 1α,25-Dihdyroxyvitamin D3-26,23-lactam (DLAM) Derivatives

  摘要：

  Three series of DLAM (1 alpha,25-dihydroxyvitamin D-3-26,23-lactam) derivatives (9 compounds) with 25-modification were synthesized. The biological evaluation of these derivatives revealed that the bulkiness at the 25-position of the DLAM causes a decrease in both the binding affinity for VDR and antagonistic activity.

  DOI：

  10.3987/com-08-s(f)51
• 作为产物：
  描述：

  5-[2-(4-bromomethylene-7a-methyloctahydroinden-1-yl)propyl]-3-propyl-3-hydroxy-1-phenethylpyrrolidine-2-one 、 三甲基硅咪唑 以 二氯甲烷 为溶剂， 反应 12.0h， 以90%的产率得到5-[2-(4-bromomethylene-7a-methyloctahydroinden-1-yl)propyl]-3-propyl-1-phenethyl-3-trimethyl-silanyloxypyrrolidin-2-one
  参考文献：
  名称：

  Synthesis and Biological Activities of VDR Antagonists; 25-Modified 1α,25-Dihdyroxyvitamin D3-26,23-lactam (DLAM) Derivatives

  摘要：

  Three series of DLAM (1 alpha,25-dihydroxyvitamin D-3-26,23-lactam) derivatives (9 compounds) with 25-modification were synthesized. The biological evaluation of these derivatives revealed that the bulkiness at the 25-position of the DLAM causes a decrease in both the binding affinity for VDR and antagonistic activity.

  DOI：

  10.3987/com-08-s(f)51

文献信息

• Synthesis and Biological Activities of VDR Antagonists; 25-Modified 1α,25-Dihdyroxyvitamin D3-26,23-lactam (DLAM) Derivatives
  作者：Kazuo Nagasawa、Yuko Kato-Nakamura、Seiichi Ishizuka、Hiroshi Saitoh、Jun-ichi Namekawa、Kazuya Takenouchi

  DOI：10.3987/com-08-s(f)51

  日期：——

  Three series of DLAM (1 alpha,25-dihydroxyvitamin D-3-26,23-lactam) derivatives (9 compounds) with 25-modification were synthesized. The biological evaluation of these derivatives revealed that the bulkiness at the 25-position of the DLAM causes a decrease in both the binding affinity for VDR and antagonistic activity.