6-(acetylamino)-1-methylhexahydro-1H-1,4-diazepine | 129295-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: 6-(acetylamino)-1-methylhexahydro-1H-1,4-diazepine
• 英文别名: 6-acetylamino-1-methylhexahydro-1H-1,4-diazepine；N-(1-methyl-1,4-diazepan-6-yl)acetamide
• CAS: 129295-36-9
• 化学式: C₈H₁₇N₃O
• 分子量: 171.242
• InChiKey: WEQYAFBNQWLMCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(acetylamino)-1-methylhexahydro-1H-1,4-diazepine 在 盐酸 、 potassium carbonate 、 potassium iodide 作用下， 以 丁酮 为溶剂， 反应 16.0h， 生成 1-[(2-fluorophenyl)methyl]-4-methyl-1,4-diazepan-6-amine
  参考文献：
  名称：

  Development of Potent Serotonin-3 (5-HT3) Receptor Antagonists. I. Structure-Activity Relationships of 2-Alkoxy-4-amino-5-chlorobenzamide Derivatives.

  摘要：

  合成了一系列新的2-烷氧基-4-氨基-5-氯苯甲酰胺衍生物，这些衍生物在氨基部分包含五到七元的杂环非芳香环，并通过测试其对大鼠冯·贝佐尔德-雅里希反射的拮抗能力来评估其对血清素-3（5-HT3）受体的拮抗活性。五到七元的杂环包括吡咯烷、吗啉、1,4-噻嗪、哌啶、哌嗪、1,4-噁唑烯、1,4-噻唑烯、七元环及1,4-二唑烯环。其中，某些具有1,4-二唑烯环的苯甲酰胺衍生物表现出了强效的5-HT3受体拮抗活性。特别是4-氨基-5-氯-N-(1,4-二甲基六氢-1H-1,4-二唑啉-6-基)-2-乙氧基苯甲酰胺（96）和1-苄基-4-甲基六氢-1H-1,4-二唑啉类似物103展现了强效的5-HT3受体拮抗活性，而未表现出对5-HT4受体的结合亲和力。

  DOI：

  10.1248/cpb.43.1364
• 作为产物：
  描述：

  1-benzyl-4-methyl-6-nitrohexahydro-1H-1,4-diazepine 在 palladium on activated charcoal 、 镍 氢气 作用下， 以 乙醇 、 氯仿 、 溶剂黄146 为溶剂， 25.0~60.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 生成 6-(acetylamino)-1-methylhexahydro-1H-1,4-diazepine
  参考文献：
  名称：

  Harada, Hiroshi; Hirokawa, Yoshimi; Morie, Toshiya, Heterocycles, 1995, vol. 41, # 2, p. 363 - 371

  摘要：

  DOI：

文献信息

• Indazole-3-carboxylic acid derivatives
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US05017573A1

  公开（公告）日：1991-05-21

  An indazole-3-carboxylic acid derivative represented by the following general formula (I) or its physiologically acceptable acid addition salt or quaternary ammonium salt, ##STR1## wherein Y represents --NH-- or --O--; R.sub.1 and R.sub.2 are identical or different and each represents a hydrogen atom, a lower alkyl group, a substituted lower alkyl group, a cycloalkyl group, a lower alkenyl group, a cycloalkenyl group, a lower alkynyl group, an unsubstituted or substituted aryl-lower alkyl group, a lower alkoxycarbonyl group, an unsubstituted or substituted aralkyloxycarbonyl group or an acyl group, or R.sub.1 and R.sub.2, taken together, form a lower alkylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, or a phenyl group; R.sub.4 represents a hydrogen atom, a lower alkyl group, a substituted lower alkyl group, a cycloalkyl group, a lower alkenyl group, a cycloalkenyl group, a lower alkynyl group, an unsubstituted or substituted aryl-lower alkyl group, a lower alkoxycarbonyl group, an unsubstituted or substituted aralkyloxycarbonyl group or an acyl group; R.sub.5 represents a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, a hydroxyl group, a trifluoromethyl group, a nitro group, an amino group or an acylamino group; m represents a number of 1, 2, 3 or 4; n represents a number of 1, 2 or 3; and p represents a number of 1, 2, 3 or 4. This compound is useful as a potent and selective antagonist of serotonin 3 (5--HT.sub.3) receptor.

  这种化合物是一种有效且选择性的5-羟色胺3（5-HT3）受体拮抗剂。
• 6-amino-1,4-hexahydro-1H-diazepine derivatives
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US05166341A1

  公开（公告）日：1992-11-24

  Indazole-3-carboxylic acid derivatives represented by the following general formula (I) and their physiologically acceptable acid addition salts or quaternary ammonium salts, ##STR1## are useful as a potent and selective antagonist of serotonin 3 (5-HT.sub.3) receptor. Also disclosed are compounds of the formula ##STR2## which are useful as intermediates in the production of the disclosed final product compounds.

  以下是通式（I）所代表的吲唑-3-羧酸衍生物及其生理上可接受的酸盐或季铵盐，##STR1## 作为一种有效和选择性的5-羟色胺3（5-HT.sub.3）受体拮抗剂。还公开了通式 ##STR2## 的化合物，它们在制备公开的最终产物化合物方面是有用的中间体。
• US5017573A
  申请人：——

  公开号：US5017573A

  公开（公告）日：1991-05-21
• US5166341A
  申请人：——

  公开号：US5166341A

  公开（公告）日：1992-11-24