2-[(1R,2R,4S)-4-[(2S)-2-[(1R,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-[[[2-[1-[1-[2-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]propan-2-yloxy]propan-2-yl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]methylsulfanyl]acetate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺
• 英文名称: 2-[(1R,2R,4S)-4-[(2S)-2-[(1R,12S,15R,16E,18R,19R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxyethyl 2-[[[2-[1-[1-[2-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]propan-2-yloxy]propan-2-yl]-1,3-dioxobenzo[de]isoquinolin-6-yl]amino]methylsulfanyl]acetate
• 化学式: C₉₈H₁₅₃N₃O₂₇S
• 分子量: 1837.3
• InChiKey: HRYPZMIYLLWSTE-NKBQWEAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  129
• 可旋转键数：
  46
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  378
• 氢给体数：
  3
• 氢受体数：
  29

文献信息

• [EN] METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE<br/>[FR] MÉTHODES DE RESTAURATION AIGUË D'UNE COMPLIANCE VASCULAIRE
  申请人：ALUMEND LLC

  公开号：WO2014152564A1

  公开（公告）日：2014-09-25

  Disclosed herein is a compound for use in a composition applied to a blood vessel, wherein the compound softens and/or disrupts the crystalline matrix of calcified plaque, as well as acutely restoring the vascular compliance at the treatment site of the blood vessel, while maintaining luminal gain during angioplasty. Methods of treatment comprising applying the disclosed composition are also disclosed. Plaque-softening compounds are also disclosed.

  本文披露了一种化合物，用于制成应用于血管的组合物，其中该化合物软化和/或破坏了钙化斑块的晶体基质，并在治疗部位急性恢复血管顺应性，同时在血管成形术期间保持腔内增益。还披露了应用所披露的组合物的治疗方法。还披露了软化斑块的化合物。
• [EN] COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING<br/>[FR] COMPOSITIONS ET MÉTHODES D'UTILISATION DES COMPOSITIONS POUR RAMOLLIR DES PLAQUES CALCIFIÉES
  申请人：ALUMEND LLC

  公开号：WO2014022807A2

  公开（公告）日：2014-02-06

  Disclosed herein is a compound for use in a composition applied to a blood vessel, wherein the compound softens and/or disrupts the crystalline matrix of calcified plaque. Methods of treatment comprising applying the disclosed composition are also disclosed. Plaque-softening compounds are also disclosed.
• [EN] COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'UTILISATION DES COMPOSITIONS POUR ASSOUPLISSEMENT DE PLAQUE
  申请人：ALUMEND LLC

  公开号：WO2014149198A1

  公开（公告）日：2014-09-25

  Disclosed herein is a compound for use in a composition applied to a blood vessel, wherein the compound softens and/or disrupts the crystalline matrix of calcified plaque. Methods of treatment comprising applying the disclosed composition are also disclosed. Plaque-softening compounds are also disclosed.