3-(1-氮杂环庚烷基)-2,2-二甲基丙胺 | 845885-85-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 3-(1-氮杂环庚烷基)-2,2-二甲基丙胺
• 英文名称: 3-(azepan-1-yl)-2,2-dimethylpropan-1-amine
• CAS: 845885-85-0
• 化学式: C₁₁H₂₄N₂
• 分子量: 184.325
• InChiKey: SUDFIJJDSKVMSO-UHFFFAOYSA-N

物化性质

• 沸点：
  249.8±8.0 °C(Predicted)
• 密度：
  0.894±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 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

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R34
• 危险品运输编号：
  UN 2735
• 海关编码：
  2933990090
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  3-(1-氮杂环庚烷基)-2,2-二甲基丙胺 、 草酸 以 水 为溶剂， 50.0~60.0 ℃ 、2.67 kPa 条件下， 生成 3-(Azepan-1-yl)-2,2-dimethylpropan-1-amine oxalate
  参考文献：
  名称：

  Synthesis of perhydro-N-(2,2-disubstituted-3-aminopropyl) heterocycles as potentially bioactive compounds and fragments for combinatorial chemistry

  摘要：

  摘要：描述了一种新的制备perhydro-­N-(2,2-二取代-3-氨基丙基)杂环化合物的方法，该方法可通过简单的程序获得大量相应衍生物，产率高至中等。

  DOI：

  10.1515/hc-2012-0093
• 作为产物：
  描述：

  3-(Azepan-1-yl)-2,2-dimethyl-3-oxopropanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 12.0h， 以73%的产率得到3-(1-氮杂环庚烷基)-2,2-二甲基丙胺
  参考文献：
  名称：

  Synthesis of perhydro-N-(2,2-disubstituted-3-aminopropyl) heterocycles as potentially bioactive compounds and fragments for combinatorial chemistry

  摘要：

  摘要：描述了一种新的制备perhydro-­N-(2,2-二取代-3-氨基丙基)杂环化合物的方法，该方法可通过简单的程序获得大量相应衍生物，产率高至中等。

  DOI：

  10.1515/hc-2012-0093

文献信息

• CANNABINOID RECEPTOR MODULATORS
  申请人：Jones Robert M.

  公开号：US20120214766A1

  公开（公告）日：2012-08-23

  The present invention relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activity of the cannabinoid CB2 receptor. The present invention further relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activities of both the CB1 receptor and the CB2 receptor. Compounds of the present invention and pharmaceutical compositions thereof are directed to methods useful in the treatment of: pain, for example bone and joint pain, muscle pain, dental pain, migraine and other headache pain, inflammatory pain, neuropathic pain, pain that occurs as an adverse effect of therapeutics and pain associated with osteoarthritis; hyperalgesia; allodynia; inflammatory hyperalgesia; neuropathic hyperalgesia; acute nociception; osteoporosis; multiple sclerosis-associated spasticity; autoimmune disorders; allergic reactions; CNS inflammation; atherosclerosis; undesired immune cell activity and inflammation; age-related macular degeneration; cough; leukemia; lymphoma; CNS tumors; prostate cancer; Alzheimer's disease; stroke-induced damage; dementia; amyotrophic lateral sclerosis, and Parkinson's disease.

  本发明涉及公式Ia的某些化合物及其制药组合物，其调节大麻素CB2受体的活性。本发明还涉及公式Ia的某些化合物及其制药组合物，其调节CB1受体和CB2受体的活性。本发明的化合物和制药组合物适用于治疗以下疾病的方法：疼痛，例如骨骼和关节疼痛，肌肉疼痛，牙痛，偏头痛和其他头痛，炎性疼痛，神经痛，由治疗副作用引起的疼痛和与骨关节炎相关的疼痛；过敏症；炎性过敏症；神经病性过敏症；急性疼痛感受；骨质疏松症；多发性硬化症相关痉挛；自身免疫疾病；过敏反应；中枢神经系统炎症；动脉粥样硬化；不良的免疫细胞活动和炎症；年龄相关的黄斑变性；咳嗽；白血病；淋巴瘤；中枢神经系统肿瘤；前列腺癌；阿尔茨海默病；中风引起的损伤；痴呆症；肌萎缩性侧索硬化症和帕金森病。
• Substituted Triazines for Malaria Treatment and Chemoprophylaxis
  申请人：The United States of America, as represented by the Secretary of the Army, on behalf of the Walter

  公开号：US20150210652A1

  公开（公告）日：2015-07-30

  Disclosed herein are triazine compounds and methods of making and using thereof to treat malaria, provide chemoprophylaxis, and/or treat or inhibit infection by one or more Plasmodium spp.

  本文披露了三嗪化合物及其制备和使用方法，用于治疗疟疾，提供化学预防，以及治疗或抑制一种或多种疟原虫感染。
• Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis
  申请人：Walter Reed Army Inst. of Research The USA, as represented by the Sec. of the Army, on behalf of the

  公开号：US20160213675A1

  公开（公告）日：2016-07-28

  Disclosed herein are triazine compounds and methods of making and using thereof to treat malaria, provide chemoprophylaxis, and/or treat or inhibit infection by one or more Plasmodium spp.

  本文披露了三嗪化合物及其制备和使用方法，用于治疗疟疾，提供化学预防，并/或治疗或抑制一种或多种疟原虫感染。
• Cannabinoid receptor modulators
  申请人：Arena Pharmaceuticals, Inc.

  公开号：US11214548B2

  公开（公告）日：2022-01-04

  The present invention relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activity of the cannabinoid CB2 receptor. The present invention further relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activities of both the CB1 receptor and the CB2 receptor. Compounds of the present invention and pharmaceutical compositions thereof are directed to methods useful in the treatment of: pain, for example bone and joint pain, muscle pain, dental pain, migraine and other headache pain, inflammatory pain, neuropathic pain, pain that occurs as an adverse effect of therapeutics and pain associated with osteoarthritis; hyperalgesia; allodynia; inflammatory hyperalgesia; neuropathic hyperalgesia; acute nociception; osteoporosis; multiple sclerosis-associated spasticity; autoimmune disorders; allergic reactions; CNS inflammation; atherosclerosis; undesired immune cell activity and inflammation; age-related macular degeneration; cough; leukemia; lymphoma; CNS tumors; prostate cancer; Alzheimer's disease; stroke-induced damage; dementia; amyotrophic lateral sclerosis, and Parkinson's disease.

  本发明涉及某些调节大麻素 CB2 受体活性的式 Ia 化合物及其药物组合物。本发明还涉及某些能调节 CB1 受体和 CB2 受体活性的式 Ia 化合物及其药物组合物。本发明的化合物及其药物组合物用于治疗以下疾病的方法：疼痛，例如骨痛和关节痛、肌肉痛、牙痛、偏头痛和其他头痛、炎症性疼痛、神经性疼痛、作为治疗药物的不良反应出现的疼痛以及与骨关节炎相关的疼痛；痛觉减退；异动症；炎症性痛觉减退；神经性痛觉减退；急性痛觉；骨质疏松症；多发性硬化症相关的痉挛、自身免疫性疾病、过敏反应、中枢神经系统炎症、动脉粥样硬化、不想要的免疫细胞活性和炎症、老年性黄斑变性、咳嗽、白血病、淋巴瘤、中枢神经系统肿瘤、前列腺癌、阿尔茨海默病、中风引起的损伤、痴呆、肌萎缩性脊髓侧索硬化症和帕金森病。
• TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS
  申请人：The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research

  公开号：EP2970153B1

  公开（公告）日：2018-02-21