(5S)-5-{[(dimethylamino)sulphonyl]amino}-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl methyl carbonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (5S)-5-{[(dimethylamino)sulphonyl]amino}-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl methyl carbonate
• 英文别名: [(8S)-8-(dimethylsulfamoylamino)-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] methyl carbonate
• 化学式: C₂₂H₂₈N₂O₈S
• 分子量: 480.539
• InChiKey: KFTBPWQMHQOSHC-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (5S)-5-{[(dimethylamino)sulphonyl]amino}-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-ol 、 氯甲酸甲酯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以32%的产率得到(5S)-5-{[(dimethylamino)sulphonyl]amino}-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl methyl carbonate
  参考文献：
  名称：

  COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS

  摘要：

  公开号：

  EP1140745B1

文献信息

• Colchinol derivatives as vascular damaging agents
  申请人：Angiogene Pharmaceuticals Ltd.

  公开号：US07135502B1

  公开（公告）日：2006-11-14

  The invention relates to the use of compounds of formula (I): wherein X is —C(O)—, —C(S)—, —C═NOH, or —CH(R7)— wherein R7 is hydrogen, hydroxy, C1-7alkoxy, —OR8 or —NR8R9 (wherein R8 is a group —Y1R10 (wherein Y1 is a direct bond, —C(O)—, —C(S)—, —S—, —C(O)O, —C(O)NR11—, —SO2— or —SO2NR12— (wherein R11 and R12, which may be the same or different, each independently represents hydrogen, C1-3alkyl or C1-3alkoxyC2-3alkyl) and R10 is as defined herein, and R9 includes hydrogen; R1, R2 and R3 are as defined herein and are preferably methyl; R4, R5 and R6 are as defined herein with the proviso that R5 is not hydroxy, alkoxy, substituted alkoxy, —OPO3H2, —O—C1-7alkanoyl or benzyloxy; and salts thereof in the manufacture of a medicament for use in the production of a vascular damaging effect in warm-blooded animals such as humans. The present invention further relates to compounds of the formula (I), pharmaceutical compositions containing them, processes for their preparation and to a method of treatment using the compounds to produce a vascular damaging effect in a warm-blooded animal such as a human. The compounds of formula (I) and the pharmaceutically acceptable salts thereof may be useful in the treatment of a number of disease states including cancer and rheumatoid arthritis.

  本发明涉及使用式(I)化合物的制药用途：其中X是—C（O）—，—C（S）—，—C═NOH或—CH（R7）—，其中R7是氢，羟基，C1-7烷氧基，—OR8或—NR8R9（其中R8是—Y1R10基团（其中Y1是直接键，—C（O）—，—C（S）—，—S—，—C（O）O，—C（O）NR11—，—SO2—或—SO2NR12—（其中R11和R12，可以相同也可以不同，各自独立地表示氢，C1-3烷基或C1-3烷氧基C2-3烷基）和R10如本文所定义，R9包括氢；R1、R2和R3如本文所定义，且最好是甲基；R4、R5和R6如本文所定义，但R5不是羟基，烷氧基，取代烷氧基，—OPO3H2，—O—C1-7烷酰基或苄氧基；以及它们的盐在制造用于在温血动物（如人类）中产生血管损伤效应的药物方面的用途。本发明还涉及式(I)化合物、含有它们的制药组合物、它们的制备方法以及使用这些化合物在温血动物（如人类）中产生血管损伤效应的治疗方法。式(I)化合物及其药用可接受盐可以用于治疗多种疾病状态，包括癌症和类风湿性关节炎。
• US7135502B1
  申请人：——

  公开号：US7135502B1

  公开（公告）日：2006-11-14
• COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS
  申请人：Angiogene Pharmaceuticals Ltd

  公开号：EP1140745B1

  公开（公告）日：2003-10-22