(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl-[2-[1-[4-(4-nitrophenyl)butyl]triazol-4-yl]ethyl]amino]oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one | 864524-92-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl-[2-[1-[4-(4-nitrophenyl)butyl]triazol-4-yl]ethyl]amino]oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
• CAS: 864524-92-5
• 化学式: C₅₁H₈₆N₆O₁₄
• 分子量: 1007.28
• InChiKey: XVCLLXMDLITNOV-RZRLPGMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  71
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  257
• 氢给体数：
  5
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl-[2-[1-[4-(4-nitrophenyl)butyl]triazol-4-yl]ethyl]amino]oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 24.0h， 以100%的产率得到(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[4-(4-aminophenyl)butyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
  参考文献：
  名称：

  WO2007/25089

  摘要：

  公开号：
• 作为产物：
  描述：

  (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one 、 1-(4-azidobutyl)-4-nitrobenzene 在 copper(l) iodide N,N-二异丙基乙胺 、 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.17h， 以81%的产率得到(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl-[2-[1-[4-(4-nitrophenyl)butyl]triazol-4-yl]ethyl]amino]oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
  参考文献：
  名称：

  WO2007/25089

  摘要：

  公开号：

文献信息

• Macrocyclic Compounds And Methods Of Making And Using The Same
  申请人：Farmer J. Jay

  公开号：US20080045585A1

  公开（公告）日：2008-02-21

  The present invention provides macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents.

  本发明提供了一种用作治疗剂的大环化合物。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。
• Triazole compounds and methods of making and using the same
  申请人：Bhattacharjee Ashoke

  公开号：US20100016955A1

  公开（公告）日：2010-01-21

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents.

  本发明提供了三唑大环化合物，作为治疗剂使用。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。
• MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Farmer Jay J.

  公开号：US20120252747A1

  公开（公告）日：2012-10-04

  The present invention provides macrocyclic compounds useful as therapeutic agents of the formula: or a pharmaceutically acceptable salt, ester, N-oxide, or prodrug thereof, wherein T, R 1 , R 2 , R 3 , D, E, F, and G are as defined herein. More particularly, these compounds are useful as anti-infective, antiproliferative, anti-inflammatory and prokinetic agents.

  本发明提供了通式为的大环化合物，可用作治疗剂，或其药学上可接受的盐、酯、N-氧化物或前药，其中T、R1、R2、R3、D、E、F和G如本文所定义。更具体地，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。
• Triazole Compounds and Methods of Making and Using the Same
  申请人：Rib-X Pharmaceuticals, Inc.

  公开号：US20140094422A1

  公开（公告）日：2014-04-03

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. These compounds are represented by the following formula (I): wherein R 1 , R 2 , etc. are defined as in Claim 1.

  本发明提供了三唑大环化合物，可用作治疗剂。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。这些化合物由以下式（I）表示：其中，R1，R2等如权利要求书1中所定义。
• TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：US20160152654A1

  公开（公告）日：2016-06-02

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. These compounds are represented by the following formula (I): wherein R 1 , R 2 , etc. are defined as in claim 1.

  本发明提供了三唑宏环化合物，其作为治疗剂具有用途。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。这些化合物由以下公式（I）表示：其中R1、R2等在权利要求书中定义。