(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
• 化学式: C₃₇H₆₆O₁₃
• 分子量: 718.9
• InChiKey: KPTWHJOKVLDRPN-ZVMRJHFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  50
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  180
• 氢给体数：
  4
• 氢受体数：
  13

文献信息

• Triazole Compounds and Methods of Making and Using the Same
  申请人：Rib-X Pharmaceuticals, Inc.

  公开号：US20140088031A1

  公开（公告）日：2014-03-27

  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，可作为治疗剂使用。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：Melinta Therapeutics, Inc.

  公开号：US20150158901A1

  公开（公告）日：2015-06-11

  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.

  本发明提供了用作治疗剂的大环化合物，其化学式为：其中T，R1，R2，R3，D，E，F和G的定义如本文所述，或其药学上可接受的盐，酯，N-氧化物或前药。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：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。
• US8841263B2
  申请人：——

  公开号：US8841263B2

  公开（公告）日：2014-09-23
• US9006189B2
  申请人：——

  公开号：US9006189B2

  公开（公告）日：2015-04-14