1-(4,4-dimethylpentanoyl)-4-(4-(5-(methoxymethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazine

• 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-(4,4-dimethylpentanoyl)-4-(4-(5-(methoxymethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazine
• 英文别名: 1-(4,4-Dimethylpentanoyl)-4-{4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}piperazine；1-[4-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]-4,4-dimethylpentan-1-one
• 化学式: C₂₀H₂₉N₅O₃
• 分子量: 387.482
• InChiKey: SJUPHCZUQMHNFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  甲氧基乙酸甲酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.33h， 生成 1-(4,4-dimethylpentanoyl)-4-(4-(5-(methoxymethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazine
  参考文献：
  名称：

  WO2006/109817

  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。
• 1,4-substituted piperazine derivatives
  申请人：MSD K.K.

  公开号：US08101618B2

  公开（公告）日：2012-01-24

  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.

  化合物的化学式为(I)，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物；R2代表具有1或2个氮原子的6元杂环芳基基团或类似物；R3代表氢原子、烷酰氨基基团或类似物；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；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、炎症性疼痛、慢性疼痛、脑梗死或短暂性脑缺血发作、精神障碍如精神分裂症和焦虑症以及药物成瘾等疾病。
• 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。
• US8101618B2
  申请人：——

  公开号：US8101618B2

  公开（公告）日：2012-01-24
• WO2006/109817
  申请人：——

  公开号：——

  公开（公告）日：——