benzyl N-[(2R,3R,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-3,6-dihydro-2H-pyran-3-yl]carbamate | 1067238-95-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl N-[(2R,3R,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-3,6-dihydro-2H-pyran-3-yl]carbamate
• CAS: 1067238-95-2
• 化学式: C₆₇H₇₉N₉O₂₃
• 分子量: 1378.41
• InChiKey: SHABMBFYOMVXDN-CSSVNPTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  99
• 可旋转键数：
  34
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  412
• 氢给体数：
  12
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  benzyl N-[(2R,3R,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-3,6-dihydro-2H-pyran-3-yl]carbamate 在 palladium dihydroxide 氢气 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 3.0h， 以93%的产率得到3',4'-dideoxy-N1-habaneomycin
  参考文献：
  名称：

  WO2008/124821

  摘要：

  公开号：
• 作为产物：
  描述：

  [(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-3-[[(2S)-2-acetyloxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-6-[[(2R,3R,6S)-6-(azidomethyl)-3-(phenylmethoxycarbonylamino)-3,6-dihydro-2H-pyran-2-yl]oxy]-5-(phenylmethoxycarbonylamino)cyclohexyl]oxy-3-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxyoxolan-2-yl]methyl acetate 在 甲醇 、 sodium methylate 作用下， 以66%的产率得到benzyl N-[(2R,3R,6S)-6-(azidomethyl)-2-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-[[(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoyl]amino]-6-(phenylmethoxycarbonylamino)cyclohexyl]oxy-3,6-dihydro-2H-pyran-3-yl]carbamate
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  [FR] ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS

  摘要：

  公开号：

  WO2011044538A9

文献信息

• ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS
  申请人：Linsell Martin

  公开号：US20080300199A1

  公开（公告）日：2008-12-04

  The present invention is directed to analogs of aminoglycoside compounds as well as their preparation and use as prophylactic or therapeutics against microbial infection.

  本发明涉及氨基糖苷化合物的类似物，以及它们的制备和用作预防或治疗微生物感染的药物。
• [EN] ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS<br/>[FR] ANALOGUES DE L'AMINOGLYCOSIDE 1,4,5-SUBSTITUÉ ANTIBACTÉRIEN
  申请人：ACHAOGEN INC

  公开号：WO2008124821A1

  公开（公告）日：2008-10-16

  [EN] The present invention is directed to analogs of aminoglycoside compounds as well as their preparation and use as prophylactic or therapeutics against microbial infection.
  [FR] La présente invention concerne des analogues de composés à base d'aminoglycosides ainsi que leur préparation et leur utilisation en tant qu'agents prophylactiques ou thérapeutiques contre une infection microbienne.