tert-butyl N-[(3S,5R)-1-[6-[(3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]anilino]-7H-purin-8-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate | 849161-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: tert-butyl N-[(3S,5R)-1-[6-[(3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]anilino]-7H-purin-8-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
• CAS: 849161-13-3
• 化学式: C₅₂H₇₀N₁₂O₁₀
• 分子量: 1023.2
• InChiKey: QUTOFPDXEHGYNK-WDEUUBJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  74
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  276
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(3S,5R)-1-[6-[(3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]anilino]-7H-purin-8-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 生成 1-Hydroxy-naphthalene-2-carboxylic acid {4-[6-((3R,5S)-3,5-diamino-piperidin-1-yl)-8-((3S,5R)-3,5-diamino-piperidin-1-yl)-7H-purin-2-ylamino]-phenyl}-amide
  参考文献：
  名称：

  Antibacterial activity in serum of the 3,5-diamino-piperidine translation inhibitors

  摘要：

  Translation inhibitors of the 3,5-diamino-piperidine series act as aminoglycoside mimetics that inhibit bacterial growth. Here we show antibacterial SAR in the presence and absence of serum with a particular focus toward Pseudomonas aeruginosa. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.023
• 作为产物：
  描述：

  di-tert-butyl ((3R,5S)-1-(2-((4-aminophenyl)amino)-6-((3R,5S)-3,5-bis((tert-butoxycarbonyl)amino)piperidin-1-yl)-9H-purin-8-yl)piperidine-3,5-diyl)dicarbamate 、 1-羟基-2-萘甲酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 tert-butyl N-[(3S,5R)-1-[6-[(3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-[4-[(1-hydroxynaphthalene-2-carbonyl)amino]anilino]-7H-purin-8-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
  参考文献：
  名称：

  Antibacterial activity in serum of the 3,5-diamino-piperidine translation inhibitors

  摘要：

  Translation inhibitors of the 3,5-diamino-piperidine series act as aminoglycoside mimetics that inhibit bacterial growth. Here we show antibacterial SAR in the presence and absence of serum with a particular focus toward Pseudomonas aeruginosa. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.023

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