(3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-piperidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione | 1053195-78-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-piperidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione
• CAS: 1053195-78-0
• 化学式: C₃₈H₆₅N₃O₁₀
• 分子量: 723.948
• InChiKey: FMECUPLWVOJWIP-RJOONIHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  [(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-2-[[(3R,5R,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate 、 (R)-N-piperidin-3-yl-hydroxylamine hydrobromide 在 甲醇 、 氨 作用下， 以 甲醇 、 水 为溶剂， 反应 14.0h， 生成 (3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-piperidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione 、 (3R,5R,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-[but-3-ynyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-piperidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione
  参考文献：
  名称：

  [EN] MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  [FR] COMPOSES MACROCYCLIQUES ET LEURS PROCEDES DE FABRICATION ET D'UTILISATION

  摘要：

  公开号：

  WO2005085266A3

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：US20100016956A1

  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. The compounds have the following structure: wherein T is the macrocyclic part.

  本发明提供了三唑大环化合物，作为治疗剂非常有用。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。化合物具有以下结构：其中T是大环部分。
• 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：Bhattacharjee Ashoke

  公开号：US20130065845A1

  公开（公告）日：2013-03-14

  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，其作为治疗剂具有用途。更具体地说，这些化合物可作为抗感染、抗增殖、抗炎和促动力剂使用。
• Triazole Compounds And Methods Of Making And Using The Same
  申请人：Melinta Therapeutics, Inc.

  公开号：US20180094016A1

  公开（公告）日：2018-04-05

  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.