[(S)-(Methoxy-methyl-carbamoyl)-(4-oxo-cyclohexyl)-methyl]-carbamic acid tert-butyl ester | 209796-49-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(S)-(Methoxy-methyl-carbamoyl)-(4-oxo-cyclohexyl)-methyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(1S)-2-[methoxy(methyl)amino]-2-oxo-1-(4-oxocyclohexyl)ethyl]carbamate
• CAS: 209796-49-6
• 化学式: C₁₅H₂₆N₂O₅
• 分子量: 314.382
• InChiKey: GGOGFPNZXLZTHJ-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(S)-(Methoxy-methyl-carbamoyl)-(4-oxo-cyclohexyl)-methyl]-carbamic acid tert-butyl ester 在 乙酸铵 、 正丁基锂 、 4 A molecular sieve 、 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors

  摘要：

  Bicyclic piperazinone based thrombin inhibitors of general structure 2 were prepared and evaluated in vitro and in vivo. These inhibitors, having in common an electrophilic basic trans-cyclohexylamine P-1 residue, displayed high thrombin affinity, high selectivity against trypsin and good in vivo efficacy in the rat arterial thrombosis model. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00636-3
• 作为产物：
  描述：

  Boc-L-4-hydroxycyclohexylglycine 在 四丙基高钌酸铵 、 4 A molecular sieve 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N-甲基吗啉氧化物 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(S)-(Methoxy-methyl-carbamoyl)-(4-oxo-cyclohexyl)-methyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors

  摘要：

  Bicyclic piperazinone based thrombin inhibitors of general structure 2 were prepared and evaluated in vitro and in vivo. These inhibitors, having in common an electrophilic basic trans-cyclohexylamine P-1 residue, displayed high thrombin affinity, high selectivity against trypsin and good in vivo efficacy in the rat arterial thrombosis model. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00636-3

文献信息

• Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors
  作者：Benoit Bachand、Micheline Tarazi、Yves St-Denis、Jeremy J Edmunds、Peter D Winocour、Lorraine Leblond、M.Arshad Siddiqui

  DOI：10.1016/s0960-894x(00)00636-3

  日期：2001.2

  Bicyclic piperazinone based thrombin inhibitors of general structure 2 were prepared and evaluated in vitro and in vivo. These inhibitors, having in common an electrophilic basic trans-cyclohexylamine P-1 residue, displayed high thrombin affinity, high selectivity against trypsin and good in vivo efficacy in the rat arterial thrombosis model. (C) 2001 Elsevier Science Ltd. All rights reserved.