5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• 化学式: C43H46N4O13
• 分子量: 826.8
• InChiKey: JBHNMKHLGNVOQW-FGBSZODSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  273
• 氢给体数：
  7
• 氢受体数：
  16

文献信息

• TREATMENT AND DIAGNOSIS OF MELANOMA
  申请人：The Rockefeller University

  公开号：EP2882496A2

  公开（公告）日：2015-06-17
• [EN] TREATMENT AND DIAGNOSIS OF MELANOMA<br/>[FR] TRAITEMENT ET DIAGNOSTIC DU MÉLANOME
  申请人：UNIV ROCKEFELLER

  公开号：WO2014028461A2

  公开（公告）日：2014-02-20

  The present invention discloses novel agents and methods for diagnosis and treatment of melanoma. Also disclosed are related arrays, kits, and screening methods.