2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine | 23877-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine
• 英文别名: N-<β-Amino-ethyl>-3-aza-bicyclo<3.2.1>octan；N-<2-Amino-ethyl>-3-azabicyclo<3.2.1>octan；2-(3-aza-bicyclo[3.2.1]oct-3-yl)-ethylamine
• CAS: 23877-86-3
• 化学式: C₉H₁₈N₂
• 分子量: 154.255
• InChiKey: GZTLCKQDXBQIRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  2.0
• 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：

  ethyl 2-(hydroxyimino)acetate 、 2-(3-azabicyclo[3.2.1]octan-3-yl)ethanamine 以 乙醇 为溶剂， 以White solid, yield (0.41 g, 60%)的产率得到N-(2-(3-azabicyclo[3.2.1]octan-3-yl)ethyl)-2-(hydroxyimino)acetamide
  参考文献：
  名称：

  CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM

  摘要：

  在另一种实施方式中，本发明提供了能够穿过血脑屏障（BBB）的亲核羟肟酰胺基烷基胺解毒剂，以催化中枢神经系统（CNS）中有机磷（OP）抑制的人类乙酰胆碱酯酶（hAChE）的水解。本发明的羟肟酰胺基烷基胺被设计为适合于AChE活性中心峡谷尺寸，具有合理的亲和力，并与峡谷中的共轭磷原子发生反应。本发明的羟肟酰胺基烷基胺也被设计为具有离子化状态，以控制与两个链接的hAChE再活化步骤的亲和力和反应性。在另一种实施方式中，本发明提供了泵、装置、皮下输注装置、连续皮下输注装置、输注笔、针头、储液器、安瓿、小瓶、注射器、芯片、一次性笔或喷射器、预装笔或注射器或芯片、芯片或一次性笔或喷射器、两室或多室泵、注射器、芯片或笔或喷射器，包括本发明的化合物。

  公开号：

  US20150361060A1

文献信息

• [EN] CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM<br/>[FR] ANTIDOTES CENTRALEMENT ACTIFS ET BIO-DISPONIBLES PAR VOIE ORALE UTILISABLES EN CAS D'EXPOSITION AUX ORGANOPHOSPHATES ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2014127315A1

  公开（公告）日：2014-08-21

  In alternative embodiments, the invention provides nucleophilic hydroxyimino- acetamido alkylamine antidotes that cross the blood-brain barrier (BBB) to catalyze the hydrolysis of organophosphate (OP)-inhibited human acetylcholinesterase (hAChE) in the central nerve system (CNS). The hydroxyimino-acetamido alkylamines of the invention are designed to fit within AChE active center gorge dimensions, bind with reasonable affinity, and react with the conjugated phosphate atom in the gorge. The hydroxyimino- acetamido alkylamines of the invention are also designed to possess ionization states that govern affinity and reactivity for the two linked hAChE re-activation steps. In alternative embodiments, the invention provides pumps, devices, subcutaneous infusion devices, continuous subcutaneous infusion devices, infusion pens, needles, reservoirs, ampoules, a vial, a syringe, a cartridge, a disposable pen or jet injector, a prefilled pen or a syringe or a cartridge, a cartridge or a disposable pen or jet injector, a two chambered or multi- chambered pump, a syringe, a cartridge or a pen or a jet injector, comprising a compound of the invention.

  在另一种实施方式中，该发明提供了能够穿过血脑屏障（BBB）的亲核羟亚胺-乙酰胺基烷胺解毒剂，用于催化有机磷（OP）抑制的人类乙酰胆碱酯酶（hAChE）在中枢神经系统（CNS）中的水解。该发明的羟亚胺-乙酰胺基烷胺设计成适合AChE活性中心峡谷尺寸，具有合理的亲和力，并与峡谷中的共轭磷原子发生反应。该发明的羟亚胺-乙酰胺基烷胺还设计成具有调控两个连接的hAChE重新激活步骤的亲和力和反应性的电离态。在另一种实施方式中，该发明提供了泵、装置、皮下输注装置、连续皮下输注装置、输注笔、针头、储液器、安瓿、小瓶、注射器、笔式注射器或喷射器、预装笔或注射器或装置、装置或一次性笔或喷射器、两室或多室泵、注射器、装置或笔或喷射器，其中包括该发明的化合物。
• [EN] MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF<br/>[FR] COMPOSÉS MACROCYCLIQUES UTILISÉS EN TANT QU'AGONISTES STING ET PROCÉDÉS ET UTILISATIONS DE CEUX-CI
  申请人：LUPIN LTD

  公开号：WO2021014365A1

  公开（公告）日：2021-01-28

  Disclosed are macrocyclic compounds having the general Formula (I) or (II) and their tautomeric forms, stereoisomers, pharmaceutically acceptable salts, hydrates, solvates and prodrugs thereof, and their combination with suitable medicament, corresponding processes for the synthesis and pharmaceutical compositions and uses of compounds disclosed herein.

  揭示了具有一般式（I）或（II）及其互变异构体、立体异构体、药学上可接受的盐、水合物、溶剂合物和前药的大环化合物，以及它们与适当药物的组合，本文披露的化合物的合成过程和药物组合物及其用途。
• Process for preparing 63-carboxyamides of teicoplanin antibiotics
  申请人：GRUPPO LEPETIT S.p.A.

  公开号：EP0370283A2

  公开（公告）日：1990-05-30

  The present invention is directed to an improved process for preparing 63 carboxyamides of teicoplanin (eventually having ¹⁵-N-alkyl substituents) by reacting a teicoplanin like compound with an activated ester forming reagent to give an ester function which is substituted by an amine, by contacting an excess of said amine in an organic polar solvent at a temperature comprised between 5°C and 60°C.

  本发明涉及一种用于制备 63 种茶碱羧酰胺（最终具有 ¹⁵-N-烷基取代基）的改进工艺，其方法是将茶碱类化合物与活化的酯形成试剂反应，得到被胺取代的酯官能团，将过量的所述胺在有机极性溶剂中接触，温度在 5°C 至 60°C 之间。
• Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them
  申请人：The Regents of the University of California

  公开号：US10800749B2

  公开（公告）日：2020-10-13

  In alternative embodiments, the invention provides nucleophilic hydroxyimino-acetamido alkylamine antidotes that cross the blood-brain barrier (BBB) to catalyze the hydrolysis of organophosphate (OP)-inhibited human acetylcholinesterase (hAChE) in the central nerve system (CNS). The hydroxyimino-acetamido alkylamines of the invention are designed to fit within AChE active center gorge dimensions, bind with reasonable affinity, and react with the conjugated phosphate atom in the gorge. The hydroxyimino-acetamido alkylamines of the invention are also designed to possess ionization states that govern affinity and reactivity for the two linked hAChE re-activation steps. In alternative embodiments, the invention provides pumps, devices, subcutaneous infusion devices, continuous subcutaneous infusion devices, infusion pens, needles, reservoirs, ampoules, a vial, a syringe, a cartridge, a disposable pen or jet injector, a prefilled pen or a syringe or a cartridge, a cartridge or a disposable pen or jet injector, a two chambered or multi-chambered pump, a syringe, a cartridge or a pen or a jet injector, comprising a compound of the invention.

  在另一个实施方案中，本发明提供了亲核羟基亚氨基乙酰氨基烷基胺解毒剂，它可以穿过血脑屏障（BBB），催化中枢神经系统（CNS）中被有机磷（OP）抑制的人乙酰胆碱酯酶（hAChE）的水解。本发明的羟基亚氨基乙酰胺基烷基胺设计成适合 AChE 活性中心峡部尺寸，以合理的亲和力结合，并与峡部的共轭磷酸原子反应。本发明的羟基亚氨基乙酰氨基烷基胺还被设计成具有电离状态，这种电离状态可控制两个相连的 hAChE 再激活步骤的亲和性和反应性。在其他实施方案中，本发明提供了包含本发明化合物的泵、装置、皮下输液装置、连续皮下输液装置、输液笔、针头、贮液器、安瓿瓶、小瓶、注射器、针筒、一次性笔或喷射注射器、预填充笔或注射器或针筒、针筒或一次性笔或喷射注射器、双腔或多腔泵、注射器、针筒或笔或喷射注射器。
• Amides of teicoplanin compounds
  申请人：GRUPPO LEPETIT S.p.A.

  公开号：EP0218099B1

  公开（公告）日：1991-12-11