(3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4-[2-[1-[(2S)-1-hydroxy-3-(4-nitrophenyl)propan-2-yl]triazol-4-yl]ethyl-methylamino]-6-methyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-pyrrolidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione

• 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)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4-[2-[1-[(2S)-1-hydroxy-3-(4-nitrophenyl)propan-2-yl]triazol-4-yl]ethyl-methylamino]-6-methyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[(3R)-pyrrolidin-3-yl]oxyimino-oxacyclotetradecane-2,4-dione
• 化学式: C₄₆H₇₃N₇O₁₃
• 分子量: 932.125
• InChiKey: RCMLIYCZWZKJRA-UFWJEJTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  66
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  265
• 氢给体数：
  5
• 氢受体数：
  18

文献信息

• 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。
• Macrocyclic Compounds And Methods Of Making And Using The Same
  申请人：Melinta Therapeutics, Inc.

  公开号：US20180066007A1

  公开（公告）日：2018-03-08

  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.
• US8841263B2
  申请人：——

  公开号：US8841263B2

  公开（公告）日：2014-09-23