exo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol | 3423-23-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: exo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol
• 英文别名: 8-isopropyl-nortropane-3exo-ol；8-Isopropyl-nortropan-3exo-ol
• CAS: 3423-23-2
• 化学式: C₁₀H₁₉NO
• 分子量: 169.267
• InChiKey: YYDQYSQZIUSKFN-ILWJIGKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  exo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol 在 三乙胺 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  N-alkyl-nor-tropine esters of 2-phenyl-cyclohexenic acids as new bronchodilator agents. Effect of structural and conformational modifications on affinity for muscarinic receptors

  摘要：

  A series of N-alkyl-nor-tropine esters of 2-phenyl-2-cyclohexene-1-carboxylic, 2-phenyl-cyclohexanecarboxylic, and 2-phenyl-1-cyclohexene-1-acetic acids and their quaternary ammonium salts were synthesized and evaluated for bronchodilator activity by binding assays and pharmacological tests. The in vitro and in vivo functional activity results showed that some quaternary derivatives are potent anticholinergic bronchodilator agents, and 4 compounds (14-A, 16-A, 25-A and 28-A) were selected for pharmacotoxicological evaluation. The binding data also indicated that the affinity of these compounds for the tracheal membrane muscarinic receptors is markedly affected by structural modifications of both the cationic head and the acyl moiety of the molecule. In the series of N-alkyl-nor-tropine 2-phenyl-2-cyclohexene-1-carboxylate derivatives, a rather strict limitation of the bulk of the equatorial substituent of tropine nitrogen is required for very high affinity. Conformational analysis and molecular graphics techniques evidenced an influence of the acyl moiety conformation on the affinity of the different tropinic esters, suggesting that the carbonyl oxygen may participate in interaction with the binding site, eliciting a marked increase of potency when it is oriented in a proper conformation with respect to the tropinic nitrogen and the phenyl ring.

  DOI：

  10.1016/0223-5234(92)90179-5
• 作为产物：
  描述：

  三苯基膦 、 三乙胺 生成 exo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol
  参考文献：
  名称：

  TOROES, S.;KOLLAR, L.;HEIL, B.;MARKO, L., J. ORGANOMET. CHEM., 1983, 255, N 3, 377-384

  摘要：

  DOI：

文献信息

• CYCLOALKYLUREA DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20220081441A1

  公开（公告）日：2022-03-17

  The present invention relates to a medicament for treating or preventing a disease related to orexin receptor, especially orexin type 2 receptor, comprising a new compound having a urea structure or a pharmaceutically acceptable salt thereof as an active ingredient. In more detail, the present invention relates to a medicament for treating or preventing narcolepsy, idiopathic hypersomnia, hypersomnia, sleep apnea syndrome, etc.

  本发明涉及一种用于治疗或预防与促觉素受体有关的疾病，特别是促觉素类型2受体的药物，包括一种具有脲结构或其药用可接受盐作为活性成分的新化合物。更详细地说，本发明涉及一种用于治疗或预防嗜睡症、特发性嗜睡症、嗜睡症、睡眠呼吸暂停综合征等疾病的药物。
• 一种制备异丙托溴铵的新方法
  申请人：杭州百诚医药科技股份有限公司

  公开号：CN107033140A

  公开（公告）日：2017-08-11

  本发明公开了一种异丙托溴铵的制备方法，包括以下步骤：以苯乙酸甲酯（Ⅲ）为起始原料，经取代反应制备α‑甲酰苯乙酸甲酯（Ⅳ）；托品醇与溴甲烷反应制备化合物（Ⅱ）；化合物（Ⅱ）与化合物（Ⅳ）反应制备化合物（Ⅴ），化合物（Ⅴ）还原制备异丙托溴铵无水物，再通过精制制备异丙托溴铵（Ⅶ）,该方法操作简单，安全性高，成本低，更适合工业化生产。
• CYCLOALKYL UREA DERIVATIVE
  申请人：Sumitomo Pharma Co., Ltd.

  公开号：EP4067344A1

  公开（公告）日：2022-10-05

  The present invention relates to a medicament for treating or preventing a disease related to orexin receptor, especially orexin type 2 receptor, comprising a new compound having a urea structure or a pharmaceutically acceptable salt thereof as an active ingredient. In more detail, the present invention relates to a medicament for treating or preventing narcolepsy, idiopathic hypersomnia, hypersomnia, sleep apnea syndrome, etc.

  本发明涉及一种用于治疗或预防与奥曲肽受体，特别是奥曲肽2型受体有关的疾病的药物，其活性成分包括一种具有脲结构的新化合物或其药学上可接受的盐。更详细地说，本发明涉及一种用于治疗或预防嗜睡症、特发性嗜睡症、嗜睡症、睡眠呼吸暂停综合征等的药物。
• Hepatitis B capsid assembly modulators
  申请人：VenatoRx Pharmaceuticals, Inc.

  公开号：US11247965B2

  公开（公告）日：2022-02-15

  Described herein are hepatitis B capsid assembly modulators and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of hepatitis B.

  本文描述的是乙型肝炎囊壳组装调节剂和包含所述化合物的药物组合物。所述化合物和组合物可用于治疗乙型肝炎。
• Cycloalkylurea derivative
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US11352357B2

  公开（公告）日：2022-06-07

  The present invention relates to a medicament for treating or preventing a disease related to orexin receptor, especially orexin type 2 receptor, comprising a new compound having a urea structure or a pharmaceutically acceptable salt thereof as an active ingredient. In more detail, the present invention relates to a medicament for treating or preventing narcolepsy, idiopathic hypersomnia, hypersomnia, sleep apnea syndrome, etc.

  本发明涉及一种用于治疗或预防与奥曲肽受体，特别是奥曲肽2型受体有关的疾病的药物，其活性成分包括一种具有脲结构的新化合物或其药学上可接受的盐。更详细地说，本发明涉及一种用于治疗或预防嗜睡症、特发性嗜睡症、嗜睡症、睡眠呼吸暂停综合征等的药物。