two (3R,5S)-3,5-bis-(tert-butoxycarbonylamino)-piperidine substituted and 3,4-di-chloroaniline substituted triazine | 849160-53-8

• 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: two (3R,5S)-3,5-bis-(tert-butoxycarbonylamino)-piperidine substituted and 3,4-di-chloroaniline substituted triazine
• 英文别名: tert-butyl N-[(3R,5S)-1-[4-[(3R,5S)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
• CAS: 849160-53-8；911841-30-0
• 化学式: C₃₉H₆₀Cl₂N₁₀O₈
• 分子量: 867.874
• InChiKey: GYYWLPMKSNJJSD-POYMRFPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  59
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  211
• 氢给体数：
  5
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  two (3R,5S)-3,5-bis-(tert-butoxycarbonylamino)-piperidine substituted and 3,4-di-chloroaniline substituted triazine 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 (3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(3,4-dichloroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
  参考文献：
  名称：

  Structure–activity relationships of novel antibacterial translation inhibitors: 3,5-Diamino-piperidinyl triazines

  摘要：

  Structure-activity relationships of the 3,5-diamino-piperidinyl triazine series, a novel class of bacterial translation inhibitors, are described. Optimization was focused on the triazine C-4 position in which aromatic substituents that contained electron-withdrawing groups led to potent inhibitors. The initial lack of antibacterial activity was correlated with poor cellular penetration. Whole cell antibacterial activity was achieved by linking additional aromatic moieties at the triazine C-4 position. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.052
• 作为产物：
  描述：

  3,4-二氯苯胺 在 碳酸氢钠 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 two (3R,5S)-3,5-bis-(tert-butoxycarbonylamino)-piperidine substituted and 3,4-di-chloroaniline substituted triazine
  参考文献：
  名称：

  Structure–activity relationships of novel antibacterial translation inhibitors: 3,5-Diamino-piperidinyl triazines

  摘要：

  Structure-activity relationships of the 3,5-diamino-piperidinyl triazine series, a novel class of bacterial translation inhibitors, are described. Optimization was focused on the triazine C-4 position in which aromatic substituents that contained electron-withdrawing groups led to potent inhibitors. The initial lack of antibacterial activity was correlated with poor cellular penetration. Whole cell antibacterial activity was achieved by linking additional aromatic moieties at the triazine C-4 position. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.052

文献信息

• Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds
  申请人：Zhou Yuefen

  公开号：US20070197533A1

  公开（公告）日：2007-08-23

  The invention relates to antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds and pharmaceutical compositions thereof. This invention also relates to a method of using such compounds in the treatment of bacterial infections in mammals, especially humans.

  本发明涉及抗菌性3,5-二氨基哌啶取代的芳香和杂环化合物及其制药组合物。本发明还涉及使用这些化合物治疗哺乳动物（尤其是人类）细菌感染的方法。
• [EN] ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS<br/>[FR] COMPOSES HETEROAROMATIQUES ET AROMATIQUES A SUBSTITUTION 3,5-DIAMINOPIPERIDINE ANTIBACTERIENS
  申请人：ANADYS PHARMACEUTICALS INC

  公开号：WO2005028467A1

  公开（公告）日：2005-03-31

  The invention relates to antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds and pharmaceutical compositions thereof. This invention also relates to a method of using such compounds in the treatment of bacterial infections in mammals, especially humans.

  本发明涉及抗菌性的3,5-二氨基哌啶取代的芳香族和杂环化合物及其药物组成物。本发明还涉及一种使用这种化合物治疗哺乳动物，特别是人类细菌感染的方法。
• US7223759B2
  申请人：——

  公开号：US7223759B2

  公开（公告）日：2007-05-29
• Structure–activity relationships of novel antibacterial translation inhibitors: 3,5-Diamino-piperidinyl triazines
  作者：Yuefen Zhou、Zhongxiang Sun、Jamie M. Froelich、Thomas Hermann、Daniel Wall

  DOI：10.1016/j.bmcl.2006.07.052

  日期：2006.10

  Structure-activity relationships of the 3,5-diamino-piperidinyl triazine series, a novel class of bacterial translation inhibitors, are described. Optimization was focused on the triazine C-4 position in which aromatic substituents that contained electron-withdrawing groups led to potent inhibitors. The initial lack of antibacterial activity was correlated with poor cellular penetration. Whole cell antibacterial activity was achieved by linking additional aromatic moieties at the triazine C-4 position. (c) 2006 Elsevier Ltd. All rights reserved.