3-{[(2R)-2,6-di(tert-butoxycarbonylamino)hexanoyl]amino}propanoic acid | 281653-53-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-{[(2R)-2,6-di(tert-butoxycarbonylamino)hexanoyl]amino}propanoic acid
• 英文别名: 3-{[(2r)-2,6-Di(tertbutoxycarbonylamino)hexanoyl]amino}propanoic acid；3-[[(2R)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoic acid
• CAS: 281653-53-0
• 化学式: C₁₉H₃₅N₃O₇
• 分子量: 417.503
• InChiKey: XCDSKDBSZPXMPK-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-{[(2R)-2,6-di(tert-butoxycarbonylamino)hexanoyl]amino}propanoic acid 、 N-acetylcolchinol 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以32%的产率得到(5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl 3-{[(2R)-2,6-di(tert-butoxycarbonylamino)hexanoyl]amino}propanoate
  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：Davis D. Peter

  公开号：US20060128633A1

  公开（公告）日：2006-06-15

  The invention relates to the use of compounds of formula (I): wherein X is —C(O)—, —C(S)—, —C═NOH, or —CH(R 7 )— wherein R 7 is hydrogen, hydroxy, C 1-7 alkoxy, —OR 8 or —NR 8 R 9 (wherein R 8 is a group —Y 1 R 10 (wherein Y 1 is a direct bond, —C(O)—, —C(S)—, —S—, —C(O)O—, —C(O)NR 11 —, —SO 2 — or —SO 2 NR 12 — (wherein R 11 and R 12 , which may be the same or different, each independently represents hydrogen; C 1-3 alkyl or C 1-3 alkoxyC 2-3 alkyl) and R 10 is as defined herein, R 9 includes hydrogen; R 11 , R 12 and R 13 are as defined herein and are preferably methyl; R 4 , R 5 and R 6 are as defined herein with the proviso that R 5 is not hydroxy, alkoxy, substituted alkoxy, —OPO 3 H 2 , —O—C 1-7 alkanoyl 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.

  本发明涉及使用以下化合物（I）的制药用途：其中X为—C（O）—、—C（S）—、—C═NOH或—CH（R7）—，其中R7为氢、羟基、C1-7烷氧基、—OR8或—NR8R9（其中R8为—Y1R10基团，其中Y1为直接键、—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），而R10如上所述，R9包括氢；R11、R12和R13如上所述，且最好为甲基；R4、R5和R6如上所述，但其中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中的应用。本发明还涉及化合物（I）、含有它们的制药组合物、其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。化合物（I）及其药学上可接受的盐可以在治疗包括癌症和类风湿性关节炎在内的多种疾病状态中有用。
• US7135502B1
  申请人：——

  公开号：US7135502B1

  公开（公告）日：2006-11-14
• [EN] COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS<br/>[FR] DERIVES DE COLCHINOL UTILISES COMME AGENTS DE DEGRADATION VASCULAIRE
  申请人：ANGIOGENE PHARM LTD

  公开号：WO2000040529A1

  公开（公告）日：2000-07-13

  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, C¿1-7?alkoxy, -OR?8 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-, -SO¿2?- or -SO2NR?12¿- (wherein R?11 and R12¿, which may be the same or different, each independently represents hydrogen, C¿1-3?alkyl or C1-3alkoxyC2-3alkyl) and R?10¿ is as defined herein, and R9 includes hydrogen; R?1, R2 and R3¿ are as defined herein and are preferably methyl; R?4, R5 and R6¿ are as defined herein with the proviso that R5 is not hydroxy, alkoxy, substituted alkoxy, -OPO¿3?H2, -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.