1-[3-(N-tertiarybutoxycarbonyl-O-methyl-L-tyrosyloxy)propyl amino]-anthracene-9,10-dione | 252682-77-2

• 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: 1-[3-(N-tertiarybutoxycarbonyl-O-methyl-L-tyrosyloxy)propyl amino]-anthracene-9,10-dione
• 英文别名: 3-[(9,10-dioxoanthracen-1-yl)amino]propyl (2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 252682-77-2
• 化学式: C₃₂H₃₄N₂O₇
• 分子量: 558.631
• InChiKey: QMIILKWZTAIAFV-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Anti-cancer agents
  申请人：——

  公开号：US20030203975A1

  公开（公告）日：2003-10-30

  A compound is provided having the formula: 1 wherein R 1 and R 2 are independently hydrogen, hydroxy, alkoxy or acyloxy R 3 and R 4 are independently oxo, hydroxy or hydrogen; one of R 5 or R 6 is -A-B and the other is hydrogen, hydroxy, alkoxy, acyloxy, a group -A-B or a group -amino-R 7 —O—Y; the or each A is independently a spacer group having the formula -amino-R 7 —O— which is bonded to the anthracene ring via the amino group nitrogen and to B via the —O— atom R 7 is a divalent organic radical; B is an amino acid residue, a peptide group, or isostere thereof; and Y is hydrogen or a capping group, or a physiologically acceptable derivative thereof. The compounds primarily have utility against cancers, but also have use against viruses and parasites having topoisomerases.

  提供一种化合物，其化学式为：其中R1和R2分别为氢、羟基、烷氧基或酰氧基；R3和R4分别为酮基、羟基或氢；R5或R6中的一个为-A-B，另一个为氢、羟基、烷氧基、酰氧基、-A-B基团或-氨基-R7-O-Y基团；每个A独立地为具有化学式-amino-R7-O-的间隔基团，通过氨基氮原子与蒽环结合，并通过-O-原子与B结合；R7为二价有机基团；B为氨基酸残基、肽基团或其同分异构体；Y为氢或封端基团，或其生理上可接受的衍生物。这些化合物主要用于治疗癌症，同时也可用于治疗具有拓扑异构酶的病毒和寄生虫。
• ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS
  申请人：BTG INTERNATIONAL LIMITED

  公开号：EP1087935A1

  公开（公告）日：2001-04-04
• [EN] ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS<br/>[FR] DERIVES D'ANTHRACENE UTILISES COMME AGENTS ANTICANCEREUX
  申请人：BTG INTERNATIONAL LIMITED

  公开号：WO1999065866A1

  公开（公告）日：1999-12-23

  (EN) A compound is provided having formula (I) wherein: R1 and R2 are independently hydrogen, hydroxy, alkoxy or acyloxy; R3 and R4 are independently oxo, hydroxy or hydrogen; one of R5 or R6 is A-B and the other is hydrogen, hydroxy, alkoxy, acyloxy, a group -A-B or a group -amino-R7-O-Y; the or each A is independently a spacer group having the formula -amino-R7-O- which is bonded to the anthracene ring via the amino group nitrogen and to B via the -O-atom; R7 is a divalent organic radical; B is an amino acid residue, a peptide group, or isostere thereof; and Y is hydrogen or a capping group, or a physiologically acceptable derivative thereof. The compounds primarily have utility against cancers, but also have use against viruses and parasites having topoisomerases.(FR) L'invention porte sur un composé ayant la formule (I) dans laquelle R1 et R2 représentent, indépendamment, hydrogène, hydroxy, alcoxy ou acyloxy; R3 et R4 représentent, indépendamment, oxo, hydroxy ou hydrogène; l'un de R5 ou R6 représente A-B et l'autre représente hydrogène, hydroxy, alcoxy, acyloxy, un groupe -A-B ou un groupe -amino-R7-O-Y; chaque A représente, indépendamment, un groupe espaceur ayant la formule -amino-R7-O- qui est lié au noyau d'anthracène par l'azote du groupe amino et à B par l'atome -O-; R7 est un radical organique divalent; B est un reste d'acide aminé, un groupe peptidique ou un isostère de celui-ci; et Y représente hydrogène ou un groupe coiffant, ou un dérivé physiologiquement acceptable de celui-ci. Ces composés sont utiles, principalement, pour lutter contre le cancer, mais aussi contre les virus et les parasites possédant des topoisomérases.