[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12R,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-13,15-dioxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] 2-[2-(5-chlorothiophen-2-yl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate | 922724-96-7

• 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,3S,4R,5R,8R,10R,11R,12R,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-13,15-dioxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] 2-[2-(5-chlorothiophen-2-yl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate
• CAS: 922724-96-7
• 化学式: C₅₁H₇₄ClN₃O₁₀S
• 分子量: 956.682
• InChiKey: DXHVAHMITOEVMA-NWEBJDBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  66
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  189
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  11-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-aza-cyclopentadecane-13,15-dione 、 [2-(5-chloro-thiophen-2-yl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 13.0h， 生成 [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12R,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-13,15-dioxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] 2-[2-(5-chlorothiophen-2-yl)-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：——