[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,5R,6S,7R,8R,11R,13R,14R,15S)-5-ethyl-6,7-dihydroxy-2,6,8,9,11,13,15-heptamethyl-3-oxo-4,16-dioxa-9-azabicyclo[11.2.1]hexadecan-14-yl]oxy]-6-methyloxan-3-yl] 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate | 922724-99-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,5R,6S,7R,8R,11R,13R,14R,15S)-5-ethyl-6,7-dihydroxy-2,6,8,9,11,13,15-heptamethyl-3-oxo-4,16-dioxa-9-azabicyclo[11.2.1]hexadecan-14-yl]oxy]-6-methyloxan-3-yl] 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate
• CAS: 922724-99-0
• 化学式: C₅₃H₇₆ClN₃O₉
• 分子量: 934.654
• InChiKey: NIXXAJRGJLFCSZ-YMGYZENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  66
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (2R,5R,6S,7R,8R,11R,13R,14R,15S)-14-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-6,7-dihydroxy-2,6,8,9,11,13,15-heptamethyl-4,16-dioxa-9-azabicyclo[11.2.1]hexadecan-3-one 、 利克飞龙 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 10.5h， 生成 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,5R,6S,7R,8R,11R,13R,14R,15S)-5-ethyl-6,7-dihydroxy-2,6,8,9,11,13,15-heptamethyl-3-oxo-4,16-dioxa-9-azabicyclo[11.2.1]hexadecan-14-yl]oxy]-6-methyloxan-3-yl] 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate
  参考文献：
  名称：

  WO2007/12464

  摘要：

  公开号：

文献信息

• MACROLIDE CONJUGATES OF PYRROLIZINE AND INDOLIZINE COMPOUNDS AS INHIBITORS OF 5-LIPOOXYGENASE AND CYCLOOXYGENASE
  申请人：Laufer Stefan

  公开号：US20090221697A1

  公开（公告）日：2009-09-03

  The present invention relates to macrolide conjugates of pyrrolizine and indolizine derivatives with macrocyclic antibiotics and derivatives thereof. The macrolide conjugates are potent inhibitors of 5-lipoxygenase and cyclooxygenase and are therefore suitable to treat disorders of the rheumatic type and to prevent allergically induced diseases. The macrolide conjugates have significantly enhanced potency and efficacy.
• WO2007/12464
  申请人：——

  公开号：——

  公开（公告）日：——