2-乙基-8-甲基-2,8-二氮杂螺[4.5]-1,3-癸二酮 | 3576-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 中文名称: 2-乙基-8-甲基-2,8-二氮杂螺[4.5]-1,3-癸二酮
• 英文名称: 2-ethyl-8-methyl-2,8-diaza-spiro[4.5]decane-1,3-dione
• 英文别名: RS 86；RS86；2-Aethyl-8-methyl-2.8-diaza-spiro<4.5>decandion-(1.3)；2-Ethyl-8-methyl-2,8-diazaspiro<4.5>decan-1,3-dion；2-Ethyl-8-methyl-2,8-diazaspiro(4,5)decane-1,3-dione；2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
• CAS: 3576-73-6
• 化学式: C₁₁H₁₈N₂O₂
• 分子量: 210.276
• InChiKey: UIHKDOBBVHGTAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  52-54 °C
• 沸点：
  117 °C(Press: 0.15 Torr)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-乙基-8-甲基-2,8-二氮杂螺[4.5]-1,3-癸二酮 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以65%的产率得到2-ethyl-8-methyl-2,8-diaza-spiro[4.5]decan-1-one
  参考文献：
  名称：

  Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists

  摘要：

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.

  DOI：

  10.1016/0223-5234(94)90195-3
• 作为产物：
  描述：

  <1-methyl-4-(ethoxycarbonyl)piperidin-4-yl>acetic acid ethyl ester 、 乙胺 生成 2-乙基-8-甲基-2,8-二氮杂螺[4.5]-1,3-癸二酮
  参考文献：
  名称：

  Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists

  摘要：

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.

  DOI：

  10.1016/0223-5234(94)90195-3

文献信息

• Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders
  申请人：Elmaleh David R.

  公开号：US20110060138A1

  公开（公告）日：2011-03-10

  One aspect of the present invention relates to compounds, compositions and methods for diagnosis and/or treatment of a subject suffering from an amyloidosis-associated pathological condition. In certain embodiments, the imaging and/or therapeutic agents of the instant invention may be administered to a subject for identification and/or treatment of amyloid deposits. A specific imaging method detects amyloid deposits by administering the imaging agent to the subject and detecting the spatial distribution of the agent. Differential accumulation of the agent is indicative of AD or an amyloidosis-associated pathological condition and can be monitored by using a PET or SPECT camera.

  本发明的一个方面涉及化合物、组合物和方法，用于诊断和/或治疗患有淀粉样变性相关病理状况的受试者。在某些实施例中，本发明的成像和/或治疗剂可以被注射给受试者，以便识别和/或治疗淀粉样沉积。一种特定的成像方法通过将成像剂注射给受试者并检测剂的空间分布来检测淀粉样沉积。剂的差异积累表明AD或淀粉样变性相关病理状况，并可以通过使用PET或SPECT相机进行监测。
• Muscarinic combinations and their use for combating hypocholinergic disorders of the central nervous system
  申请人：Chase Pharmaceuticals Corporation

  公开号：US10307409B2

  公开（公告）日：2019-06-04

  A combination of a muscarinic cholinergic receptor agonist, a non-anticholinergic antiemetic agent and a non-selective, peripheral anticholinergic agent for the treatment of hypocholinergic disorders of the central nervous system.

  一种毒蕈碱胆碱能受体激动剂、一种非抗胆碱能止吐药和一种非选择性外周抗胆碱能药的复方制剂，用于治疗中枢神经系统的低胆碱能紊乱。
• Oxybutynin transdermal therapeutic system muscarinic agonist combination
  申请人：CHASE PHARMACEUTICALS CORPORATION

  公开号：US10596139B2

  公开（公告）日：2020-03-24

  Pharmaceutical compositions and combinations containing a muscarinic receptor antagonist, such as oxybutynin in a transdermal therapeutic system, and a muscarinic receptor agonist, optionally with an acetyl cholinesterase inhibitor, and methods of using the same for treatment of hypocholinergic disorders of the central nervous system such as Alzheimer type dementia. The respective pharmaceutical compositions and combinations of the present invention allow for safe administration of high doses of muscarinic receptor agonist, and improved efficacy of the muscarinic receptor agonist for treatment of hypocholinergic disorders of the central nervous system. The pharmaceutical compositions and combinations also allow for a maximum supply of acetylcholine to the central nervous system, when an acetyl cholinesterase inhibitor is used in combination with a muscarinic receptor antagonist and a muscarinic receptor agonist.

  含有毒蕈碱受体拮抗剂（如透皮治疗系统中的奥昔布宁）和毒蕈碱受体激动剂（可选择与乙酰胆碱酯酶抑制剂一起使用）的药物组合物和组合物，以及使用这些药物组合物和组合物治疗中枢神经系统低胆碱能疾病（如阿尔茨海默型痴呆症）的方法。本发明的各种药物组合物和组合物可以安全地施用大剂量毒蕈碱受体激动剂，并提高毒蕈碱受体激动剂治疗中枢神经系统低胆碱能疾病的疗效。当乙酰胆碱酯酶抑制剂与毒蕈碱受体拮抗剂和毒蕈碱受体激动剂联合使用时，本发明的药物组合物和复方制剂还能最大限度地向中枢神经系统提供乙酰胆碱。
• Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders
  申请人：The General Hospital Corporation

  公开号：US10857247B2

  公开（公告）日：2020-12-08

  One aspect of the present invention relates to compounds, compositions and methods for diagnosis and/or treatment of a subject suffering from an amyloidosis-associated pathological condition. In certain embodiments, the imaging and/or therapeutic agents of the instant invention may be administered to a subject for identification and/or treatment of amyloid deposits. A specific imaging method detects amyloid deposits by administering the imaging agent to the subject and detecting the spatial distribution of the agent. Differential accumulation of the agent is indicative of AD or an amyloidosis-associated pathological condition and can be monitored by using a PET or SPECT camera.

  本发明的一个方面涉及用于诊断和/或治疗淀粉样变性相关病症的化合物、组合物和方法。在某些实施方案中，本发明的成像剂和/或治疗剂可用于受试者淀粉样蛋白沉积的鉴定和/或治疗。具体的成像方法是通过向受试者施用成像剂并检测成像剂的空间分布来检测淀粉样蛋白沉积。淀粉样蛋白沉积物的不同程度的积聚表明了多发性硬化症或与淀粉样蛋白沉积相关的病理状况，可使用 PET 或 SPECT 相机进行监测。
• SUEESS R., HELV. CHIM. ACTA <HCAC-AV>, 1977, 60 NO 5, 1650-1656
  作者：SUEESS R.

  DOI：——

  日期：——