tert-butyl [(1RS,2SR)-2-(azidomethyl)cyclohexyl]carbamate

• 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: tert-butyl [(1RS,2SR)-2-(azidomethyl)cyclohexyl]carbamate
• 英文别名: tert-butyl N-[(1R,2S)-2-(azidomethyl)cyclohexyl]carbamate
• 化学式: C₁₂H₂₂N₄O₂
• 分子量: 254.332
• InChiKey: JKIZRJGFEQZIQO-VHSXEESVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  52.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl [(1RS,2SR)-2-(azidomethyl)cyclohexyl]carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 tert-butyl trans-2-(aminomethyl)cyclohexylcarbamate
  参考文献：
  名称：

  2-Aminomethylphenylamine as a novel scaffold for factor Xa inhibitor

  摘要：

  We have been researching orally active factor Xa inhibitor for a long time. We explored the new diamine linker using effective ligands to obtain a new attractive original scaffold 2-aminomethylphenylamine derivative. Compound 1D showed very strong in vitro and in vivo factor Xa inhibitory activity, as well as favorable PK profiles in po administration to monkeys. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.035
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 N-甲基吗啉 、 sodium azide 、 三乙胺 、 氯甲酸异丁酯 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 75.25h， 生成 tert-butyl [(1RS,2SR)-2-(azidomethyl)cyclohexyl]carbamate
  参考文献：
  名称：

  2-Aminomethylphenylamine as a novel scaffold for factor Xa inhibitor

  摘要：

  We have been researching orally active factor Xa inhibitor for a long time. We explored the new diamine linker using effective ligands to obtain a new attractive original scaffold 2-aminomethylphenylamine derivative. Compound 1D showed very strong in vitro and in vivo factor Xa inhibitory activity, as well as favorable PK profiles in po administration to monkeys. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.035

文献信息

• [EN] N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] COMPOSES DE N-UREIDOALKYL-AMINO EN TANT QUE MODULATEURS DE L'ACTIVITE DE RECEPTEURS DE LA CHIMIOKINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005048932A3

  公开（公告）日：2006-09-14
• US7291744B2
  申请人：——

  公开号：US7291744B2

  公开（公告）日：2007-11-06
• 2-Aminomethylphenylamine as a novel scaffold for factor Xa inhibitor
  作者：Akiyoshi Mochizuki、Tsutomu Nagata、Hideyuki Kanno、Makoto Suzuki、Toshiharu Ohta

  DOI：10.1016/j.bmc.2011.01.035

  日期：2011.3

  We have been researching orally active factor Xa inhibitor for a long time. We explored the new diamine linker using effective ligands to obtain a new attractive original scaffold 2-aminomethylphenylamine derivative. Compound 1D showed very strong in vitro and in vivo factor Xa inhibitory activity, as well as favorable PK profiles in po administration to monkeys. (C) 2011 Elsevier Ltd. All rights reserved.