(S)-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine | 672314-52-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (S)-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine
• 英文别名: (1S)-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]ethanamine
• CAS: 672314-52-2
• 化学式: C₁₅H₃₃NOSi
• 分子量: 271.519
• InChiKey: RJMNCCXUDNEXKJ-HSBZDZAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-1-[4"-(tert-butyldimethylsilyloxymethyl)cyclohexyl]ethan-1-amine 在 phosphate buffer 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium hypochlorite 、 sodium chlorite 、 四丁基氟化铵 、 碳酸氢钠 、 sodium carbonate 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 (S)-trans-4-[N'-(tert-butyloxycarbonyl)ethan-1'-amino]-N-(4''-pyridyl)cyclohexanecarboxamide
  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：

  1,4-环己烷二甲醇 在 palladium on activated charcoal 4-二甲氨基吡啶 、 copper(l) iodide 、 三氟化硼乙醚 、 甲酸铵 、 magnesium sulfate 、 三乙胺 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 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

文献信息

• Synthesis and evaluation of 4-(1-aminoalkyl)-N-(4-pyridyl)cyclohexanecarboxamides as Rho kinase inhibitors and neurite outgrowth promoters
  作者：Karine Gingras、Hovsep Avedissian、Eryk Thouin、Véronique Boulanger、Charles Essagian、Lisa McKerracher、William D. Lubell

  DOI：10.1016/j.bmcl.2004.07.025

  日期：2004.10

  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.