R-N-ethyl-3-aminohexahydroazepine | 179535-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: R-N-ethyl-3-aminohexahydroazepine
• 英文别名: (R)-3-amino-1-ethyl-1H-hexahydroazepine；(3R)-1-ethylazepan-3-amine
• CAS: 179535-13-8
• 化学式: C₈H₁₈N₂
• 分子量: 142.244
• InChiKey: DODHTIZNAOJSHI-MRVPVSSYSA-N

物化性质

• 沸点：
  175.7±8.0 °C(Predicted)
• 密度：
  0.886±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium tetrachloropalladate(II) 、 R-N-ethyl-3-aminohexahydroazepine 以 甲醇 、 水 为溶剂， 以88.8%的产率得到PdCl2(R-N-ethyl-3-aminohexahydroazepine)
  参考文献：
  名称：

  The nature of close Pd⋯Pd and Pd⋯H(—C) contacts

  摘要：

  The preparations and crystal structures of [PdCl2(R-ahaz)] (ahaz=3-aminohexahydroazepine) and [PdCl2(R-etahaz)] (etahaz=N-ethyl-3-aminohexahydroazepine) are described. Both complexes crystallise with two independent molecules stacked in "dimeric" pairs with short Pd Pd contacts. In [PdCl2(R-ahaz)] the Pd ... Pd separation is 3.361(1) Angstrom and in [PdCl2(R-etahaz)] it is 3.415(1) Angstrom. Hydrogen bonds between the N-H groups of one complex and the chloro ligands of the other link the dimers. There are also Pd ... H contacts in the range 2.60 Angstrom to 2.75 Angstrom between the ligand backbone and the metal. Molecular mechanics models indicate that the hydrogen bonds are the major contributor to dimer formation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00102-3
• 作为产物：
  描述：

  (R)-3-氨基-2-己内酰胺 在 盐酸 、 sodium hydride 、 三乙胺 、 红铝 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 为溶剂， 生成 R-N-ethyl-3-aminohexahydroazepine
  参考文献：
  名称：

  对5-HT 3和多巴胺D 2受体具有高亲和力的一系列新的N-（六氢-1，4-二氮杂-6-6基）和N-（六氢氮杂-3-基）苯甲酰胺。

  摘要：

  制备了在胺部分具有六氢-1,4-二氮杂或六氢氮杂pine环的一系列新型苯甲酰胺，并评估了它们对5-HT3和多巴胺D2受体的结合亲和力。1-乙基-4-甲基六氢-1,4-二氮杂吡啶基苯甲酰胺（R）-22的R异构体对两种受体均具有强大的亲和力。相应的1-乙基六氢氮杂吡啶基苯甲酰胺28的R-对映异构体显示出对多巴胺D2受体的有效亲和力，而对5-HT3受体的亲和力降低，而S异构体是有效且选择性的5-HT3受体拮抗剂。

  DOI：

  10.1016/s0960-894x(98)00078-x

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。
• Antibacterial compounds
  申请人：Redx Pharma PLC

  公开号：US10385065B2

  公开（公告）日：2019-08-20

  The invention relates to antibacterial and anti-mycobacterial drug compounds of formula I. It also relates to pharmaceutical formulations of antibacterial drug compounds. It also relates to uses of the derivatives in treating bacterial infections, and methods of treating bacterial infections. The invention is also directed to antibacterial drug compounds capable of treating bacterial infections that are currently hard to treat with existing drug compounds, e.g., those caused by resistant bacterial or mycobacterial strains.

  本发明涉及式 I 的抗菌和抗霉菌药物化合物，还涉及抗菌药物化合物的药物制剂。 本发明还涉及这些衍生物在治疗细菌感染中的用途，以及治疗细菌感染的方法。 本发明还涉及能够治疗目前难以用现有药物化合物治疗的细菌感染的抗菌药物化合物，例如由抗药性细菌或分枝杆菌菌株引起的细菌感染。
• ANTIBACTERIAL COMPOUNDS
  申请人：REDX PHARMA PLC

  公开号：US20170158708A1

  公开（公告）日：2017-06-08

  The invention relates to antibacterial and anti-mycobacterial drug compounds of formula I. It also relates to pharmaceutical formulations of antibacterial drug compounds. It also relates to uses of the derivatives in treating bacterial infections, and methods of treating bacterial infections. The invention is also directed to antibacterial drug compounds capable of treating bacterial infections that are currently hard to treat with existing drug compounds, e.g., those caused by resistant bacterial or mycobacterial strains.
• US5932568A
  申请人：——

  公开号：US5932568A

  公开（公告）日：1999-08-03