4-(5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1-piperazinecarboxylic acid tert-butyl ester

• 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: 4-(5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1-piperazinecarboxylic acid tert-butyl ester
• 英文别名: tert-Butyl 4-(5-pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-piperazine-1-carboxylate；tert-butyl 4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylate
• 化学式: C₁₆H₂₁N₅O₃
• 分子量: 331.374
• InChiKey: YQLYADJUOOBJCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  烟酸甲酯 、 tert-butyl 4-(N-hydroxycarbamimidoyl)piperazine-1-carboxylate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.25h， 生成 4-(5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1-piperazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  EP1764362

  摘要：

  公开号：

文献信息

• 1,4-Substituted Piperazine Derivatives
  申请人：Kawamoto Hiroshi

  公开号：US20090062293A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R 1 represents a branched lower alkyl group having from 3 to 9 carbon atoms or the like; R 2 represents a 6-membered heteroaryl group having 1 or 2 nitrogen atoms or the like; R 3 represents a hydrogen atom, an alkanoylamino group or the like; R 4 represents a hydrogen atom, a lower alkyl group or the like; X 1 represents an oxygen atom or a sulfur atom; X 2 represents an oxygen atom or a single bond; and m indicates an integer of from 0 to 4. This compound has a metabotropic glutamate receptor 1 inhibitory effect, and therefore is useful for the treatment of a brain disorder such as convulsion, acute pain, inflammatory pain, chronic pain, cerebral infraction or transient cerebral ischemic attack, a mental dysfunction such as schizophrenia, and a disease such as anxiety and drug addition.

  化合物的化学式为（I）或其药学上可接受的盐，其中：R1代表分支的低碳原子数为3至9的烷基或类似物；R2代表含有1或2个氮原子的6元杂环芳基或类似物；R3代表氢原子，烷酰胺基或类似物；R4代表氢原子，低碳原子数的烷基或类似物；X1代表氧原子或硫原子；X2代表氧原子或单键；m表示0至4的整数。该化合物具有代谢型谷氨酸受体1的抑制作用，因此可用于治疗脑部疾病，如惊厥、急性疼痛、炎性疼痛、慢性疼痛、脑梗塞或短暂性脑缺血发作、精神障碍如精神分裂症以及焦虑和药物成瘾等疾病。
• Biaryl derivatives
  申请人：Kawamoto Hiroshi

  公开号：US20070191389A1

  公开（公告）日：2007-08-16

  The present invention relates to a compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R 1 is a linear or branched alkoxy group, a cycloalkoxy group, a linear or branched lower alkyl group, etc.; R 2 is halogen atom, a lower alkyl group, etc.; Q 1 is carbon atom or nitrogen atom; Q 2 is carbon atom which may be substituted with oxo group; the formula (III): (II) is a single bond or a double bond; A is a group selected from the group consisting of the substitutent group α; and R 5 is hydrogen atom, a lower alkyl group, cyano group, an alkoxy group or a trialkylsilyl group; having an mGluR1 inhibiting action and being useful as treatment and/or prevention of convulsion, acute pain, cerebral disturbance such as cerebral infarction or transient cerebral ischemia onset, anxiety, chemical dependency or Parkinson's disease.

  本发明涉及一种由以下式（I）表示的化合物或其药学上可接受的盐，其中： R1是线性或支链烷氧基，环烷氧基，线性或支链低烷基等； R2是卤素原子，低烷基等； Q1是碳原子或氮原子； Q2是可能被氧代基取代的碳原子； 式（III）： （II）是单键或双键； A是从取代基α组成的组中选择的一组；以及 R5是氢原子，低烷基，氰基，烷氧基或三烷基硅基； 具有mGluR1抑制作用，可用于治疗和/或预防抽搐，急性疼痛，脑功能障碍，如脑梗死或短暂性脑缺血发作，焦虑，化学依赖或帕金森病。
• BIARYL DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1764362A1

  公开（公告）日：2007-03-21

  The present invention relates to a compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, whrein: R1 is a linear or branched alkoxy group, a cycloalkoxy group, a linear or branched lower alkyl group, etc.; R2 is halogen atom, a lower alkyl group, etc.; Q1 is carbon atom or nitrogen atom; Q2 is carbon atom which may be substituted with oxo group; the formula (III) : is a single bond or a double bond; A is a group selected from the group consisting of the substituent group α; and R5 is hydrogen atom, a lower alkyl group, cyano group, an alkoxy group or a trialkylsilyl group; having an mGluR1 inhibiting action and being useful as treatment and/or prevention of convulsion, acute pain, cerebral disturbance such as cerebral infarction or transient cerebral ischemia onset, anxiety, chemical dependency or Parkinson's disease.

  本发明涉及一种由式 (I) 表示的化合物： 或其药学上可接受的盐，其中 R1 是直链或支链烷氧基、环烷氧基、直链或支链低级烷基等；R2 是卤素原子、低级烷基等；Q1 是碳原子或氮原子；Q2 是可被氧代基团取代的碳原子；式 (III) ： R5为氢原子、低级烷基、氰基、烷氧基或三烷基硅烷基；具有抑制 mGluR1 的作用，可用于治疗和/或预防抽搐、急性疼痛、脑梗塞或短暂性脑缺血发作等脑部障碍、焦虑、化学依赖或帕金森病。
• 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1870401A1

  公开（公告）日：2007-12-26

  A compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R1 represents a branched lower alkyl group having from 3 to 9 carbon atoms or the like; R2 represents a 6-membered heteroaryl group having 1 or 2 nitrogen atoms or the like; R3 represents a hydrogen atom, an alkanoylamino group or the like; R4 represents a hydrogen atom, a lower alkyl group or the like; X1 represents an oxygen atom or a sulfur atom; X2 represents an oxygen atom or a single bond; and m indicates an integer of from 0 to 4. This compound has a metabotropic glutamate receptor 1 inhibitory effect, and therefore is useful for the treatment of a brain disorder such as convulsion, acute pain, inflammatory pain, chronic pain, cerebral infraction or transient cerebral ischemic attack, a mental dysfunction such as schizophrenia, and a disease such as anxiety and drug addition.

  式 (I) 所代表的化合物： 或其药学上可接受的盐，其中 R1 代表具有 3 至 9 个碳原子的支链低级烷基或类似基团； R2 代表具有 1 或 2 个氮原子的 6 元杂芳基或类似基团 R3 代表氢原子、烷酰氨基或类似物； R4 代表氢原子、低级烷基或类似物； X1 代表氧原子或硫原子； X2 代表氧原子或单键；以及 m 表示 0 至 4 的整数。 该化合物具有代谢型谷氨酸受体 1 抑制作用，因此可用于治疗抽搐、急性疼痛、炎症性疼痛、慢性疼痛、脑梗塞或短暂性脑缺血发作等脑部疾病，精神分裂症等精神功能障碍，以及焦虑和药物成瘾等疾病。
• US7858800B2
  申请人：——

  公开号：US7858800B2

  公开（公告）日：2010-12-28