1.4-Bis-<2-(2-phenyl-pentanoyloxy)-ethyl>-piperazin | 115211-84-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1.4-Bis-<2-(2-phenyl-pentanoyloxy)-ethyl>-piperazin
• 英文别名: 2-phenyl-pentanoic acid 2,2'-piperazine-1,4-diyl-diethyl ester；1,4-bis-[2-(2-phenyl-valeryloxy)-ethyl]-piperazine；1,4-Bis-[2-(2-phenyl-valeryloxy)-aethyl]-piperazin；N,N'-bis[2-(2-n-propyl-2-phenylacetoxy)ethyl]piperazine；2-[4-[2-(2-Phenylpentanoyloxy)ethyl]piperazin-1-yl]ethyl 2-phenylpentanoate
• CAS: 115211-84-2
• 化学式: C₃₀H₄₂N₂O₄
• 分子量: 494.674
• InChiKey: CRDRILOZVYITLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  36
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌嗪 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 碳酸氢钠 作用下， 生成 1.4-Bis-<2-(2-phenyl-pentanoyloxy)-ethyl>-piperazin
  参考文献：
  名称：

  N，N'-二酰氧基醇基-哌嗪合成肽，具有抗痉挛性

  摘要：

  描述了α-苯基-α-烷基乙酸与N，N′-二-（2-羟基-乙基）-和N，N′-二-（1-羟基丙-2-y1）-哌嗪的酯的合成。这些物质表现出类似罂粟碱的解痉性质。

  DOI：

  10.1002/hlca.19590420406

文献信息

• Diamine derivatives and their use in oncology
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0443569A2

  公开（公告）日：1991-08-28

  Compounds of formula wherein R and R3, which may be the same or different, each represents a hydrogen atom, an alkyl group containing 1 to 5 carbon atoms, or an optionally substituted aryl or aralkyl group, substituents being selected from halogen atoms, alkoxy and alkyl groups containing 1 to 5 carbon atoms, said alkyl groups in turn being optionally halo-substituted; R1 and R2, which may be the same or different, each represents a hydrogen atom, an alkyl group containing 1 to 5 carbon atoms, or an optionally substituted aryl or aralkyl group, substituents being as indicated above, or R1 and R2 together represent an alkylene group containing 2 or 3 carbon atoms; m and p, which may be the same or different each represents a number from 0 to 3; n represents the number 2 or 3; and X represents a group of formula R4x -CO-, R4x -COO-, R4x -CONH-, R4x -NHCO-, or R4x -O- and Y represents a group of formula R -CO-, R -COO-, R4y -CONH-, R4y -NHCO-, or R4y -0- in which groups R4y and R4x, which may be the same or different, each represents an optionally substituted aryl, aralkyl or aryloxyalkyl group, substituents being as indicated above, and the alkyl moiety in the aralkyl and aryloxyalkyl groups containing 1 to 5 carbon atoms and being optionally substituted by a cycloalkyl group containing 3 to 8 carbon atoms; and physiologically acceptable acid addition salts thereof have been found to be active in restoring drug-sensitivity to cancer cells that have become multidrug-resistant. They can, therefore, be used as adjuvants in oncology, and they can be administered simultaneously, separately or at intervals in combination with one or more conventional anti-cancer agents for treating malignant tumours and corresponding metastases. Some of these compounds and salts which have not been previously described as well as their manufacture and pharmaceutical compositions containing them are also disclosed.

  式化合物 其中 R 和 R3（可以相同或不同）各自代表一个氢原子、一个含 1 至 5 个碳原子的烷基或一个任选取代的芳基或芳烷基，取代基可选自卤素原子、烷氧基和含 1 至 5 个碳原子的烷基，所述烷基又可任选被卤代；R1 和 R2 可以相同或不同，各自代表一个氢原子、一个含 1 至 5 个碳原子的烷基或一个任选取代的芳基或芳烷基，取代基如上所示，或 R1 和 R2 共同代表一个含 2 或 3 个碳原子的亚烷基； m 和 p 可以相同或不同，各自代表一个 0 至 3 的数字；n 代表数字 2 或 3；X 代表式 R4x -CO-、R4x -COO-、R4x -CONH-、R4x -NHCO- 或 R4x -O- 的基团，Y 代表式 R -CO-、R -COO-、R4y -CONH-、R4y -NHCO- 或 R4y -0- 的基团，其中基团 R4y 和 R4x 可以相同或不同，各自代表任选取代的芳基、芳烷基和芳氧基烷基中的烷基含有 1 至 5 个碳原子，并可选择被含有 3 至 8 个碳原子的环烷基取代；及其生理学上可接受的酸加成盐，已被发现在恢复对多种药物产生抗药性的癌细胞的药物敏感性方面具有活性。因此，它们可用作肿瘤学中的辅助剂，并可与一种或多种常规抗癌剂同时、单独或间隔联合使用，以治疗恶性肿瘤和相应的转移瘤。 此外，还公开了一些以前未曾描述过的化合物和盐类，以及它们的制造方法和含有它们的药物组合物。
• US5190946A
  申请人：——

  公开号：US5190946A

  公开（公告）日：1993-03-02
• Synthèse de quelques N, N'-di-acyloxyalcoyl-pipérazines présentant des propriétés antispasmodiques
  作者：Ph. Gold-Aubert、A. Locher

  DOI：10.1002/hlca.19590420406

  日期：——

  Syntheses of esters of α-phenyl-α-alcoylacetic acids with N, N'-di-(2-hydroxy-ethyl)- and N, N'-di-(1-hydroxyprop-2-y1)- piperazine are described. These substances show papaverine-like antispasmodic properties.

  描述了α-苯基-α-烷基乙酸与N，N′-二-（2-羟基-乙基）-和N，N′-二-（1-羟基丙-2-y1）-哌嗪的酯的合成。这些物质表现出类似罂粟碱的解痉性质。