3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-3H-pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-3H-pyrimidin-4-one
• 英文别名: 3-Ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)pyrimidin-4-one
• 化学式: C₁₅H₁₈N₄O₃S
• 分子量: 334.399
• InChiKey: LVUWMLIPQLWWLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-methyl-5-nitro-6-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-3H-pyrimidin-4-one 、 溴乙烷 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 3-ethyl-2-methyl-5-nitro-6-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-3H-pyrimidin-4-one 、 6-(6-ethoxy-2-methyl-5-nitro-pyrimidin-4-yl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
  参考文献：
  名称：

  mGluR antagonists and a method for their synthesis

  摘要：

  本发明涉及硝基和氰基1，2，4，5-四氢杂环辛基嘧啶衍生物及其药学上可接受的盐。本发明还涉及含有这种化合物的药物以及制备这种化合物的过程。本发明的化合物是I组mGluR拮抗剂，因此对于控制或预防急性和/或慢性神经系统疾病非常有用。

  公开号：

  US06369222B1

文献信息

• Novel mGluR antagonists and a method for their synthesis
  申请人：——

  公开号：US20020045635A1

  公开（公告）日：2002-04-18

  The invention relates to nitro- and cyano-1,2,4,5-tetrahydro-heterocycloazepinyl pyrimidine derivatives as well as their pharmaceutically acceptable salts. The invention further relates to medicaments containing such compounds and a process for the preparation of such compounds. The compounds of the invention are group I mGluR antagonists and are therefore useful for the control or prevention of acute and/or chronic neurological disorders.

  本发明涉及硝基和氰基1,2,4,5-四氢杂环庚啶基嘧啶衍生物及其药学上可接受的盐。本发明还涉及含有这种化合物的药物以及制备这种化合物的方法。本发明的化合物是I群mGluR拮抗剂，因此对于控制或预防急性和/或慢性神经系统疾病是有用的。
• TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1303521A1

  公开（公告）日：2003-04-23
• US6369222B1
  申请人：——

  公开号：US6369222B1

  公开（公告）日：2002-04-09
• [EN] TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002006288A1

  公开（公告）日：2002-01-24

  The invention relates to compounds of the general formula (I) wherein HET and R?1 to R12¿ have the significances as defined in the specification, as well as their phamaceutically acceptable salts. The invention further relates to medicaments containing such compounds and a process for the preparation of such compounds. The compounds of formula (I) are group (I) mGluR antagonists and are therefore useful for the control or prevention of acute and/or chronic neurological disorders.