1-ethyl-1H-heptahydroazocin-2-on | 103039-86-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-ethyl-1H-heptahydroazocin-2-on
• 英文别名: 1-Ethylazocan-2-one
• CAS: 103039-86-7
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: KTXIRTMXSAEEQA-UHFFFAOYSA-N

物化性质

• 沸点：
  268.2±9.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-ethyl-1H-heptahydroazocin-2-on 在 盐酸 、 sodium azide 、 三乙胺 、 红铝 、 lithium diisopropyl amide 作用下， 以 甲苯 为溶剂， 生成 (1-Ethyl-azocan-3-yl)-trityl-amine
  参考文献：
  名称：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with dual antiemetic and gastroprokinetic activities

  摘要：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with a medium perhydroazacycle ring in the amine moiety were prepared, and their antiemetic and gastroprokinetic activities were evaluated. Among them, N-(1-ethylhexahydroazepin-3-yl)-, N-(1-ethyloctahydroazocin-3-yl)- and N-(1-ethyloctahydroazonin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamides (24, 36, 37) showed a potent antiemetic activity (inhibition of apomorphine-induced emesis in dogs) along with gastroprokinetic activity (gastric emptying in rats). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00341-2
• 作为产物：
  描述：

  氮杂环辛酮 、 碘乙烷 以 四氢呋喃 为溶剂， 生成 1-ethyl-1H-heptahydroazocin-2-on
  参考文献：
  名称：

  6-methoxy-1H-benzotriazole-5-carboxamide derivatives and pharmaceutical

  摘要：

  6-甲氧基-1H-苯并三唑-5-甲酰胺衍生物，表示为下面的化学式（I）：##STR1##其中R.sup.1代表乙基或环丙甲基基团，R.sup.2代表氢原子、甲基或乙基基团，n为1、2或3，波浪线（）表示酰胺基团中与N原子结合的碳原子上的取代基的立体构型是消旋的（RS）或光学活性的（R或S）！或其药用可接受的酸盐；它们的制备方法；含有化合物的药物组合物的制备方法（I）或其药用可接受的酸盐；以及新的中间体。本发明的化合物具有优异的抗恶心活性和促进胃肠动力活性。此外，它们还表现出较少的中枢神经系统（CNS）抑制活性，因此用于治疗和预防与各种疾病和治疗方法相关的胃肠道功能紊乱，作为促进胃肠动力的药剂。

  公开号：

  US05932568A1

文献信息

• 6-methoxy-1H-benzotriazole-5-carboxamide derivatives and pharmaceutical
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US05932568A1

  公开（公告）日：1999-08-03

  6-Methoxy-1H-benzotriazole-5-carboxamide derivatives which are represented by the formula (I) below: ##STR1## \x9bin which R.sup.1 stands for ethyl or cyclopropylmethyl group, R.sup.2 stands for hydrogen atom, methyl or ethyl group, n is 1, 2 or 3, and the wavy line () signifies that configuration of the substituents on the carbon atom bound to the N-atom in the amide moiety is racemic (RS) or optically active (R or S)! or their pharmaceutically acceptable acid addition salts; processes for their preparation; pharmaceutical compositions containing a compound of formula (I) or its pharmaceutically acceptable acid addition salt; and novel intermediates. The compounds of the present invention possess concurrently excellent antiemetic activity and gastrointestinal motility enhancing activity. They furthermore exhibit less central nervous system (CNS) depressant activity and, therefore, are used for treatments and prophylaxis of functional disorders of gastrointestinal tract associated with various diseases and therapeutical treatments, as gastrointestinal motility enhancing agent.

  6-甲氧基-1H-苯并三唑-5-甲酰胺衍生物，表示为下面的化学式（I）：##STR1##其中R.sup.1代表乙基或环丙甲基基团，R.sup.2代表氢原子、甲基或乙基基团，n为1、2或3，波浪线（）表示酰胺基团中与N原子结合的碳原子上的取代基的立体构型是消旋的（RS）或光学活性的（R或S）！或其药用可接受的酸盐；它们的制备方法；含有化合物的药物组合物的制备方法（I）或其药用可接受的酸盐；以及新的中间体。本发明的化合物具有优异的抗恶心活性和促进胃肠动力活性。此外，它们还表现出较少的中枢神经系统（CNS）抑制活性，因此用于治疗和预防与各种疾病和治疗方法相关的胃肠道功能紊乱，作为促进胃肠动力的药剂。
• 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME
  申请人：DAINIPPON PHARMACEUTICAL CO., LTD.

  公开号：EP0794184A1

  公开（公告）日：1997-09-10

  6-Methoxy-1H-benzotriazole-5-carboxamide derivatives which are represented by the formula (I) below: [in which R1 stands for ethyl or cyclopropylmethyl group, R2 stands for hydrogen atom, methyl or ethyl group, n is 1, 2 or 3, and the wavy line () signifies that configuration of the substituents on the carbon atom bound to the N-atom in the amide moiety is racemic (RS) or optically active (R or S)] or their pharmaceutically acceptable acid addition salts; processes for their preparation; pharmaceutical compositions containing a compound of formula (I) or its pharmaceutically acceptable acid addition salt; and novel intermediates. The compounds of the present invention possess concurrently excellent antiemetic activity and gastrointestinal motility enhancing activity. They furthermore exhibit less central nervous system (CNS) depressant activity and, therefore, are used for treatments and prophylaxis of functional disorders of gastrointestinal tract associated with various diseases and therapeutical treatments, as gastrointestinal motility enhancing agent.

  6-甲氧基-1H-苯并三唑-5-甲酰胺衍生物，由下式（I）表示： [其中 R1 代表乙基或环丙基甲基、 R2 代表氢原子、甲基或乙基、 n 为 1、2 或 3，以及 波浪线（）表示与酰胺分子中 N 原子结合的碳原子上的取代基的构型为外消旋（RS）或光学活性（R 或 S）]。 或其药学上可接受的酸加成盐；其制备工艺；含有式（I）化合物或其药学上可接受的酸加成盐的药物组合物；以及新型中间体。 本发明的化合物同时具有优异的止吐活性和胃肠道蠕动增强活性。此外，它们还表现出较低的中枢神经系统（CNS）抑制活性，因此可作为胃肠道蠕动增强剂，用于治疗和预防与各种疾病和治疗相关的胃肠道功能紊乱。
• Phenoxymethyl derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US10640472B2

  公开（公告）日：2020-05-05

  The invention provides novel compounds having the general formula (I) wherein RA, RB, RC, RC1 and W are as defined herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有通式 (I) 的新型化合物 其中 RA、RB、RC、RC1 和 W 如本文所定义，本发明提供了包括该化合物的组合物和使用该化合物的方法。
• Yoshifuji, Shigeyuki; Arakawa, Yukimi; Nitta, Yoshihiro, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 1, p. 357 - 363
  作者：Yoshifuji, Shigeyuki、Arakawa, Yukimi、Nitta, Yoshihiro

  DOI：——

  日期：——
• PHENOXYMETHYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20180201588A1

  公开（公告）日：2018-07-19

  The invention provides novel compounds having the general formula (I) wherein R A , R B , R C , R C1 and W are as defined herein, compositions including the compounds and methods of using the compounds.