(1S,1'S)-N-[1'-(phenyl)ethyl]-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine | 672314-53-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1S,1'S)-N-[1'-(phenyl)ethyl]-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine
• 英文别名: (1S)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-N-[(1S)-1-phenylethyl]ethanamine
• CAS: 672314-53-3
• 化学式: C₂₃H₄₁NOSi
• 分子量: 375.67
• InChiKey: HSNLWMTVQLXSCZ-YDPTZXBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  21.26
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (1S,1'S)-N-[1'-(phenyl)ethyl]-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 生成 (S)-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine
  参考文献：
  名称：

  Synthesis and evaluation of 4-(1-aminoalkyl)-N-(4-pyridyl)cyclohexanecarboxamides as Rho kinase inhibitors and neurite outgrowth promoters

  摘要：

  The influence of stereochemistry and alkyl side chain length on the bioactivity of the Rho kinase inhibitor Y-27632 [(+)-1, R = Me] was examined by the synthesis of (+)- and (-)-1, and two alkyl chain analogs (+)- and (-)-2 (R = n-propyl) and (-)-3 (R = n-octyl) as well as their evaluation in enzymatic and neurite outgrowth assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.025
• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 在 copper(l) iodide 、 三氟化硼乙醚 、 magnesium sulfate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (1S,1'S)-N-[1'-(phenyl)ethyl]-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine
  参考文献：
  名称：

  Synthesis and evaluation of 4-(1-aminoalkyl)-N-(4-pyridyl)cyclohexanecarboxamides as Rho kinase inhibitors and neurite outgrowth promoters

  摘要：

  The influence of stereochemistry and alkyl side chain length on the bioactivity of the Rho kinase inhibitor Y-27632 [(+)-1, R = Me] was examined by the synthesis of (+)- and (-)-1, and two alkyl chain analogs (+)- and (-)-2 (R = n-propyl) and (-)-3 (R = n-octyl) as well as their evaluation in enzymatic and neurite outgrowth assays. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.025