9-benzyl-3,7-dioxa-9-azabicyclo[3,3,1]nonane | 873336-51-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-benzyl-3,7-dioxa-9-azabicyclo[3,3,1]nonane
• 英文别名: 9-Benzyl-3,7-dioxa-9-azabicyclo-(3.3.1)nonane；9-benzyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
• CAS: 873336-51-7
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: MUZNYLQJAQGZHF-UHFFFAOYSA-N

物化性质

• 沸点：
  321.4±37.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-benzyl-3,7-dioxa-9-azabicyclo[3,3,1]nonane 、 甲酸 在 钯 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以99%的产率得到3,7-dioxa-9-aza-bicyclo[3,3,1]-nonane formic acid salt
  参考文献：
  名称：

  Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane

  摘要：

  The basicity of an amine has a great impact on physicochemical properties and pharmacokinetics. To attenuate the basicity of morpholine, a bicyclic amine was designed and synthesized with the introduction of an additional beta-oxygen. A transannular cyclization and reduction of a bridgehead alpha-chloro amine functionality produces the topographically unusual amine (pK(a) = 6.7) in good yield.

  DOI：

  10.1021/jo051982z
• 作为产物：
  描述：

  9-benzyl-3,7-dioxa-9-azabicyclo[3,3,1]nonan-1-ol trifluoroacetic acid salt 在 氯化亚砜 、 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 30.0h， 生成 9-benzyl-3,7-dioxa-9-azabicyclo[3,3,1]nonane
  参考文献：
  名称：

  Concise Synthesis of 3,7-Dioxa-9-aza-bicyclo[3,3,1]-nonane

  摘要：

  The basicity of an amine has a great impact on physicochemical properties and pharmacokinetics. To attenuate the basicity of morpholine, a bicyclic amine was designed and synthesized with the introduction of an additional beta-oxygen. A transannular cyclization and reduction of a bridgehead alpha-chloro amine functionality produces the topographically unusual amine (pK(a) = 6.7) in good yield.

  DOI：

  10.1021/jo051982z

文献信息

• Bicyclic amide derivatives for the treatment of respiratory disorders
  申请人：Cortex Pharmaceuticals, Inc.

  公开号：US08168632B2

  公开（公告）日：2012-05-01

  This invention relates to compounds, pharmaceutical compositions and methods for use in the prevention and treatment of disorders of respiration such as overdose of an alcohol, an opiate, an opioid, a barbiturate, an anesthetic, or a nerve toxin. In a particular aspect, the invention relates to bicyclic amide compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

  本发明涉及化合物、制药组合物及其在预防和治疗呼吸系统疾病方面的应用，如酒精、鸦片类、阿片类、巴比妥类、麻醉剂或神经毒素过量等。在特定方面，本发明涉及对于这些疾病治疗有用的双环酰胺化合物，以及使用这些化合物进行治疗的方法。
• Bicyclic amide derivatives for enhancing glutamatergic synaptic responses
  申请人：Cortex Pharmaceuticals, Inc.

  公开号：US08119632B2

  公开（公告）日：2012-02-21

  This invention relates to compounds, pharmaceutical compositions and methods for use in the prevention and treatment of cerebral insufficiency, including enhancement of receptor functioning in synapses in brain networks responsible for basic and higher order behaviors. These brain networks, which are involved in cognitive abilities related to memory impairment, such as is observed in a variety of dementias, in imbalances in neuronal activity between different brain regions, as is suggested in disorders such as Parkinson's disease, schizophrenia, sleep apneas, attention deficit hyperactivity disorder and affective or mood disorders, and in disorders wherein a deficiency in neurotrophic factors is implicated, as well as conditions such as stroke-induced central sleep apnea, obstructive sleep apnea, congenital hypoventilation syndrome, obesity hypoventilation syndrome, sudden infant death syndrome, Rett syndrome, spinal cord injury, traumatic brain injury, Cheney-Stokes respiration, Ondines curse, Prader-Willi's syndrome and drowning. In a particular aspect, the invention relates to bicyclic amide compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

  本发明涉及化合物、药物组合物和用于预防和治疗脑供血不足的方法，包括增强与基本和高级行为相关的脑网络中突触的受体功能。这些脑网络参与与记忆障碍相关的认知能力，如多种痴呆症中观察到的情况，以及在不同脑区域之间神经活动失衡的情况，如帕金森病、精神分裂症、睡眠呼吸暂停、注意力缺陷多动障碍、情感或情绪障碍，以及与神经营养因子缺乏有关的疾病。还包括中风引起的中枢性睡眠呼吸暂停、阻塞性睡眠呼吸暂停、先天性低通气综合征、肥胖性低通气综合征、婴儿猝死综合征、雷特综合征、脊髓损伤、创伤性脑损伤、切尼-斯托克斯呼吸、温迪恩氏综合征、普拉德-威利综合征和溺水等病症。特别是，本发明涉及用于治疗这些病症的双环酰胺化合物，以及使用这些化合物进行治疗的方法。
• Bicyclic amide derivatives for the treatmet of respiratory disorders
  申请人：Mueller Rudolf

  公开号：US20100173903A1

  公开（公告）日：2010-07-08

  This invention relates to compounds, pharmaceutical compositions and methods for use in the prevention and treatment of disorders of respiration such as overdose of an alcohol, an opiate, an opioid, a barbiturate, an anesthetic, or a nerve toxin. In a particular aspect, the invention relates to bicyclic amide compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

  本发明涉及化合物、药物组合物和使用方法，用于预防和治疗呼吸障碍，如酒精、鸦片类、阿片类、巴比妥类、麻醉剂或神经毒素过量。特别是，本发明涉及用于治疗这些疾病的双环酰胺化合物，以及使用这些化合物进行此类治疗的方法。
• BICYCLIC AMIDE DERIVATIVES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES
  申请人：MUELLER Rudolf

  公开号：US20120122861A1

  公开（公告）日：2012-05-17

  This invention relates to compounds, pharmaceutical compositions and methods for use in the prevention and treatment of cerebral insufficiency, including enhancement of receptor functioning in synapses in brain networks responsible for basic and higher order behaviors. These brain networks, which are involved in cognitive abilities related to memory impairment, such as is observed in a variety of dementias, in imbalances in neuronal activity between different brain regions, as is suggested in disorders such as Parkinson's disease, schizophrenia, sleep apneas, attention deficit hyperactivity disorder and affective or mood disorders, and in disorders wherein a deficiency in neurotrophic factors is implicated, as well as conditions such as stroke-induced central sleep apnea, obstructive sleep apnea, congenital hypoventilation syndrome, among others. In a particular aspect, the invention relates to bicyclic amide compounds useful for treatment of such conditions, and methods of using these compounds for such treatment.

  本发明涉及化合物、制药组合物和方法，用于预防和治疗脑血管不足，包括增强与基本和高级行为相关的大脑网络中突触的受体功能。这些大脑网络涉及与记忆障碍有关的认知能力，如在多种痴呆症中观察到的情况，涉及不同脑区之间神经活动不平衡的疾病，如帕金森病、精神分裂症、睡眠呼吸暂停、注意力缺陷多动障碍和情感或情绪障碍，以及神经营养因子缺乏所涉及的疾病，以及中风引起的中枢性睡眠呼吸暂停、阻塞性睡眠呼吸暂停、先天性低通气综合征等疾病。在一个特定方面，本发明涉及对这些疾病有用的双环酰胺化合物及其治疗方法。
• Substituted-quinoxaline-type-piperidine compounds and the uses thereof
  申请人：Purdue Pharma LP

  公开号：EP2433935A1

  公开（公告）日：2012-03-28

  The invention relates to Substituted-Quinoxaline-Type Piperidine Compounds of Formula (I) and Formula (II), compositions comprising an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound.

  本发明涉及式（I）和式（II）的取代喹喔啉型哌啶化合物、包含有效量的取代喹喔啉型哌啶化合物的组合物，以及治疗或预防疼痛等疾病的方法，包括向有需要的动物施用有效量的取代喹喔啉型哌啶化合物。