1-tert-butoxycarbonyl-2-methoxymethyl-4-(3,4,5-trimethoxybenzoyl)piperazine | 129798-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-tert-butoxycarbonyl-2-methoxymethyl-4-(3,4,5-trimethoxybenzoyl)piperazine
• 英文别名: tert-butyl 2-(methoxymethyl)-4-(3,4,5-trimethoxybenzoyl)piperazine-1-carboxylate
• CAS: 129798-92-1
• 化学式: C₂₁H₃₂N₂O₇
• 分子量: 424.494
• InChiKey: ZEIIGEWWPMFWEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  86.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 1-tert-butoxycarbonyl-4-(3,4,5-trimethoxybenzoyl)piperazine-2-methanol 、 碘甲烷 生成 1-tert-butoxycarbonyl-2-methoxymethyl-4-(3,4,5-trimethoxybenzoyl)piperazine
  参考文献：
  名称：

  Trisubstituted piperazine compounds, their production and use

  摘要：

  公式（I）的新型三取代哌嗪类化合物： 其中A为可选取代的苯基、可选取代的紧缩多环碳氢基、可选取代的杂环基或式Ar-CR4=CRS-的苯乙烯基，其中Ar为可选取代的苯基，R4和R5独立地为氢或较低的烷基，X为亚甲基、羰基或硫代羰基，G为式（CH2）nZ-R6的基团，其中n为0到2之间的整数，Z为化学键、0、S、SO、SO2、CO、COO、CONR7或NR7（其中R7为氢、较低的烷基、较低的卤代烷基、较低的烯基或较低的烷氧羰基基团），R6为氢、较低的烷基、较低的卤代烷基或较低的烯基，但当n为0且Z为化学键时，R6不为氢或较低的烷基，且R1、R2和R3独立地为较低的烷基。此外，该化合物及其盐可用作血小板活化因子拮抗剂。

  公开号：

  EP0368670A1

文献信息

• US4997836A
  申请人：——

  公开号：US4997836A

  公开（公告）日：1991-03-05
• Trisubstituted piperazine compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04997836A1

  公开（公告）日：1991-03-05

  Novel trisubstituted piperazine compounds of the formula (I) and pharmaceutically acceptable salts thereof: ##STR1## wherein R.sup.1, R.sup.2 and R.sup.3 are lower alkyl groups; A is a phenyl group, a hydrocarbon group formed by condensation of two or three 5- to 8-membered rings, a monocyclic 5- to 8-membered heterocyclic group containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, a dicyclic heterocyclic group formed by condensation of a benzene ring with a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, a tricyclic heterocyclic group formed by condensation of (i) a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, and (ii) a benzene ring, and (iii) a benzene ring or a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, or a styryl group of the formula: Ar--CR.sup.4 .dbd.CR.sup.5 -- wherein Ar is a phenyl group, and R.sup.4 and R.sup.5 are independently hydrogen or a lower alkyl group, the phenyl group represented by A or Ar, the hydrocarbon group represented by A, the monocyclic 5- to 8-membered heterocyclic group represented by A, the dicyclic heterocyclic group represented by A and the tricyclic heterocyclic group represented by A being unsubstituted or substituted by one or more substituents selected from the class consisting of a lower alkyl group, a halo lower alkyl group, a hydroxy lower alkyl group, an acyloxy lower alkyl group, a lower alkoxy lower alkyl group, a lower alkoxy group, a halo lower alkoxy group, a lower alkoxycarbonyl lower alkoxy group, a lower alkenyloxy group, aralkyloxy group, a lower alkoxy lower alkoxy group, a lower alkoxycarbonyl group, carboxyl group, carbamoyl group, an N,N-di-lower alkylcarbamoyl group, an N-lower alkylcarbamoyl group, halo group, cyano group, nitro group, hydroxy group, acyloxy group, amino group, a lower alkylsulfonylamino group, acylamino group, a lower alkoxycarbonylamino group, acyl group, mercapto group, a lower alkylthio group, a lower alkylsulfinyl group, a lower alkylsulfonyl group and oxo group; X is methylene group, carbonyl group or thiocarbonyl group and G is a group of the formula: --CH.sub.2 --.sub.n Z--R.sup.6 wherein n is an integer of 0 to 2, Z is a chemical bond, O, S, SO, SO.sub.2, CO, COO, OCO, OCONR.sup.7, CONR.sup.7 or NR.sup.7 (wherein R.sup.7 is hydrogen, a lower alkyl group, a lower haloalkyl group, a lower alkenyl group or a lower alkoxycarbonyl group), and R.sup.6 is hydrogen, a lower alkyl group, a lower haloalkyl group or a lower alkenyl group, provided that, when n is O and Z is chemical bond, R.sup.6 is not hydrogen or a lower alkyl group are useful as a platelet activating factor antagonist.

  新型三取代哌嗪化合物的化学式（I）及其药用盐：##STR1## 其中R.sup.1、R.sup.2和R.sup.3为较低的烷基基团；A为苯基、由两个或三个5至8成员环缩合形成的烃基团、含有1至3个异原子（选自氮、氧和硫）的单环5至8成员杂环基团、由苯环与含有1至3个异原子（选自氮、氧和硫）的5至8成员杂环环缩合形成的二环杂环基团、由（i）含有1至3个异原子（选自氮、氧和硫）的5至8成员杂环环和（ii）苯环缩合形成的三环杂环基团，以及（iii）苯环或含有1至3个异原子（选自氮、氧和硫）的5至8成员杂环环或化学式为Ar--CR.sup.4 .dbd.CR.sup.5--的苯乙烯基团：其中Ar为苯基，R.sup.4和R.sup.5独立地为氢或较低的烷基基团，由A或Ar表示的苯基，由A表示的烃基团，由A表示的单环5至8成员杂环基团，由A表示的二环杂环基团以及由A表示的三环杂环基团未被取代或被选自较低烷基基团、卤代较低烷基基团、羟基较低烷基基团、酰氧基较低烷基基团、较低烷氧基较低烷基基团、较低烷氧基、卤代较低烷氧基、较低烷氧羰基较低烷氧基、较低烯氧基、芳基氧基、较低烷氧较低烷氧基、较低烷氧羰基基团、羧基、氨基、较低烷基磺酰氨基、酰胺基、较低烷氧羰胺基、酰基、巯基、较低烷硫基、较低烷硫氧基、较低烷磺基和氧代基所选的一个或多个取代基所取代；X为亚甲基基团、羰基或硫代羰基，G为化学式：--CH.sub.2--.sub.n Z--R.sup.6，其中n为0至2的整数，Z为化学键、O、S、SO、SO.sub.2、CO、COO、OCO、OCONR.sup.7、CONR.sup.7或NR.sup.7（其中R.sup.7为氢、较低烷基基团、较低卤代烷基基团、较低烯基基团或较低烷氧羰基基团），R.sup.6为氢、较低烷基基团、较低卤代烷基基团或较低烯基基团，但当n为O且Z为化学键时，R.sup.6不为氢或较低烷基基团，可用作血小板活化因子拮抗剂。