1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-phenylpiperazine | 291510-47-9

• 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-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-phenylpiperazine
• 英文别名: N-(3-methoxyquinoxalin-2-yl)-4-phenylpiperazine-1-carboxamide
• CAS: 291510-47-9
• 化学式: C₂₀H₂₁N₅O₂
• 分子量: 363.419
• InChiKey: NLISCENDLCPCAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 、 phenyl N-(2-methoxyquinoxalin-3-yl)carbamate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 以76.5%的产率得到1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-phenylpiperazine
  参考文献：
  名称：

  Piperazine derivatives and process for the preparation thereof

  摘要：

  本发明涉及一种新型化合物，其通式为(I)，及其药学上可接受的酸盐，并涉及其制备方法，该化合物具有很强的抗肿瘤活性和极低的毒性。其中R1和R2独立地为氢、C1-C4烷基、C1-C4烷基羧基、C1-C4烷基羰基、C1-C4烷氧基、C1-C4羟基烷基、C1-C4氨基烷基或C1-C4羟基亚烷基，或者R1和R2融合形成C3-C4不饱和环；R3、R4、R5、R6和R7独立地为氢、卤素、羟基、硝基、氨基、C1-C4烷基、C1-C4烷基羧基、C1-C4烷基羰基、C1-C4烷氧基或C1-C4硫氧基；R8为C1-C4烷基；Y为氧、硫、氨基、取代氨基或C1-C4硫代烷基；Z为C1-C4烷氧基、C1-C4烷基、C1-C4烷基氨基或C1-C4硫代烷氧基；X1和X2独立地为碳或氮；且-N═C—和—C═Y—可以形成单键或双键，条件是如果—N═C—形成单键，则—C═Y—形成双键，如果—C═Y—形成单键，则—N═C—形成双键，且R8不存在。

  公开号：

  US20030092910A1

文献信息

• Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder
  申请人：Matsumoto Takahiro

  公开号：US20090048263A1

  公开（公告）日：2009-02-19

  A compound represented by the formula (I) or a salt thereof; and an agent for protecting a brain/neuronal cell or a therapeutic agent for sleep disorder comprising the compound or salt: wherein Z represents an oxygen or sulfur; R 1 represents an aryl or heterocyclic group which may be substituted, provided that R 1 is not a 3-ethyl-6-methoxy-2-methyl-5-naphthalen-1-yl group; R 1a represents a hydrogen atom, a hydrocarbon group which may be substituted, a hydroxyl group or the like; R 2 represents a piperidin-1,4-diyl or piperazin-1,4-diyl which may be substituted; R 3 represents a bivalent group which is formed by removing two hydrogen atoms from a benzene ring or 6-membered aromatic heterocyclic ring which may have a substituent, provided that R 3 is not a pyridazin-3,6-diyl; and R 4 represents a group which is formed by removing one hydrogen atom from a benzene ring or 5- to 6-membered heterocyclic ring which may be substituted, provided that the substituent on the heterocyclic ring is not a phenylethyl group which may be substituted when Z is sulfur.

  化合物（I）的化学式或其盐；以及包含该化合物或盐的保护脑部/神经细胞的药剂或治疗失眠症的药剂：其中Z代表氧或硫；R1代表取代的芳基或杂环基，但R1不是3-乙基-6-甲氧基-2-甲基-5-萘基-1-基基；R1a代表氢原子，可取代的烃基，羟基或类似物；R2代表可取代的哌啶-1,4-二基或哌嗪-1,4-二基；R3代表双价基团，由苯环或6元芳杂环环上去掉两个氢原子形成，可以有取代基，但R3不是吡嗪-3,6-二基；R4代表由苯环或5-到6-元杂环环上去掉一个氢原子形成的基团，可以取代，但当Z是硫时，杂环环上的取代基不是可取代的苯乙基基团。
• BRAIN/NEURONAL CELL-PROTECTING AGENT, AND THERAPEUTIC AGENT FOR SLEEP DISORDER
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1923388A1

  公开（公告）日：2008-05-21

  A compound represented by the formula (I) or a salt thereof; and an agent for protecting a brain/neuronal cell or a therapeutic agent for sleep disorder comprising the compound or salt: wherein Z represents an oxygen or sulfur; R1 represents an aryl or heterocyclic group which may be substituted, provided that R1 is not a 3-ethyl-6-methoxy-2-methyl-5-naphthalen-1-yl group; R1a represents a hydrogen atom, a hydrocarbon group which may be substituted, a hydroxyl group or the like; R2 represents a piperidin-1,4-diyl or piperazin-1,4-diyl which may be substituted; R3 represents a bivalent group which is formed by removing two hydrogen atoms from a benzene ring or 6-membered aromatic heterocyclic ring which may have a substituent, provided that R3 is not a pyridazin-3,6-diyl; and R4 represents a group which is formed by removing one hydrogen atom from a benzene ring or 5- to 6-membered heterocyclic ring which may be substituted, provided that the substituent on the heterocyclic ring is not a phenylethyl group which may be substituted when Z is sulfur.

  由式(I)代表的化合物或其盐，以及包含该化合物或盐的保护脑/神经细胞的制剂或治疗睡眠障碍的制剂：其中 Z 代表氧或硫；R1 代表可被取代的芳基或杂环基，条件是 R1 不是 3-乙基-6-甲氧基-2-甲基-5-萘-1-基；R1a 代表氢原子、可被取代的烃基、羟基或类似基团；R2 代表可被取代的哌啶-1,4-二基或哌嗪-1,4-二基；R3 代表二价基团，该基团由苯环或 6 元芳香杂环去掉两个氢原子形成，可具有取代基，但 R3 不是哒嗪-3,6-二基；R4 代表基团，该基团由苯环或 5 至 6 元杂环去掉一个氢原子形成，可被取代，但杂环上的取代基不是苯乙基，当 Z 为硫时，苯乙基可被取代。
• PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：EP1075469A1

  公开（公告）日：2001-02-14
• US6683184B2
  申请人：——

  公开号：US6683184B2

  公开（公告）日：2004-01-27
• US7812025B2
  申请人：——

  公开号：US7812025B2

  公开（公告）日：2010-10-12