[(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-10-[[(4aR,5S,7R,8aS)-1,3,3,7-tetramethyl-5,7,8,8a-tetrahydro-4aH-pyrano[4,3-c][1,5,2]dioxazin-5-yl]oxy]-2-ethyl-9-methoxy-12-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(2-oxopropyl)oxan-2-yl]oxy-3,4,5,7,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-3-yl] N-[3-[5-[(3,5-dichloropyridin-4-yl)carbamoyl]-2-methoxyphenoxy]propyl]carbamate

• 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: [(2R,3S,4R,5R,7R,9R,10R,11S,12S,13R)-10-[[(4aR,5S,7R,8aS)-1,3,3,7-tetramethyl-5,7,8,8a-tetrahydro-4aH-pyrano[4,3-c][1,5,2]dioxazin-5-yl]oxy]-2-ethyl-9-methoxy-12-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(2-oxopropyl)oxan-2-yl]oxy-3,4,5,7,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-3-yl] N-[3-[5-[(3,5-dichloropyridin-4-yl)carbamoyl]-2-methoxyphenoxy]propyl]carbamate
• 化学式: C₆₁H₉₂Cl₂N₄O₁₇
• 分子量: 1224.3
• InChiKey: NNYFHRXLPMWOBU-LBPQIVMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  84
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  236
• 氢给体数：
  2
• 氢受体数：
  19

文献信息

• NEW MACROLIDES AND THEIR USE
  申请人：BASILEA PHARMACEUTICA AG

  公开号：US20140142100A1

  公开（公告）日：2014-05-22

  The invention relates to macrolide compounds of formula (I), the use of said compounds as medicaments, in particular for the treatment or prevention of inflammatory and allergic diseases, pharmaceutical compositions containing said compounds and to processes for their preparation. The invention relates in particular to macrolide compounds with antiinflammatory activity mediated primarily through inhibition of phosphodiesterase 4 (PDE4) which makes them useful for the treatment and/or prevention of inflammatory and allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rheumatoid arthritis, atopic dermatitis or inflammatory bowel disease or proliferative diseases such as cancer.
• US8933073B2
  申请人：——

  公开号：US8933073B2

  公开（公告）日：2015-01-13