8-(2,2-Dimethylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane | 207497-33-4

• 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
• 英文名称: 8-(2,2-Dimethylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
• CAS: 207497-33-4
• 化学式: C₁₂H₂₃NO₂
• 分子量: 213.32
• InChiKey: WGEJSYMIVYSESQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 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：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-(2,2-Dimethylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane 在 盐酸 作用下， 以 丙酮 为溶剂， 反应 12.0h， 生成 1-neopentylpiperidin-4-one
  参考文献：
  名称：

  Eclipsed Conformation of the Exocyclic N−CH₂ Bond in N-Neopentylpiperidines and the Stereodynamic Consequences As Studied by Dynamic NMR Spectroscopy and Molecular Mechanics Calculations

  摘要：

  The dynamic stereochemistry of a range of N-neopentylpiperidines 1 with an eclipsed N-CH2-t-Bu bond is compared with that of the corresponding range of N-ethylpiperidines 2 with a gauche N-CH2Me bond. By using dynamic NMR spectroscopy, the relative importance of ring inversion, exocyclic bond rotation, and nitrogen inversion are elucidated and barriers are reported and discussed. Minor populations of the neopentyl-axial-eclipsed conformation are detected directly and identified with the help of molecular mechanics calculations. The corresponding N-alkylpyrrolidines are also reported.

  DOI：

  10.1021/jo9720344
• 作为产物：
  描述：

  4,4-(ethylenedioxy)-1-tertbutoxycarbonylpiperidine 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 18.0h， 生成 8-(2,2-Dimethylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
  参考文献：
  名称：

  Eclipsed Conformation of the Exocyclic N−CH₂ Bond in N-Neopentylpiperidines and the Stereodynamic Consequences As Studied by Dynamic NMR Spectroscopy and Molecular Mechanics Calculations

  摘要：

  The dynamic stereochemistry of a range of N-neopentylpiperidines 1 with an eclipsed N-CH2-t-Bu bond is compared with that of the corresponding range of N-ethylpiperidines 2 with a gauche N-CH2Me bond. By using dynamic NMR spectroscopy, the relative importance of ring inversion, exocyclic bond rotation, and nitrogen inversion are elucidated and barriers are reported and discussed. Minor populations of the neopentyl-axial-eclipsed conformation are detected directly and identified with the help of molecular mechanics calculations. The corresponding N-alkylpyrrolidines are also reported.

  DOI：

  10.1021/jo9720344

文献信息

• CYCLIC PEPTIDES AND USE AS MEDICINES
  申请人：Fu Jiping

  公开号：US20140134132A1

  公开（公告）日：2014-05-15

  The present invention provides a compound of formula I; or a pharmaceutically acceptable salt thereof, wherein the variables R 1 , R 2 , R 3 , R 4 , R 5 , and A-B are defined herein, which are non-immunosuppresive, cyclophilin-binding, mPTP blockers and are therefore useful for the prevention or treatment of diseases or disorders such as HCV infection, stroke, multiple sclerosis, HBV infection, HPV infection, asthma, cancer, muscular dystrophy, sepsis, ischemia/reperfusion injury, and heart failure.

  本发明提供了一种化合物I的公式；或其药学上可接受的盐，其中变量R1、R2、R3、R4、R5和A-B在此处定义，这些化合物是非免疫抑制剂、环肽酶结合剂、mPTP阻滞剂，因此可用于预防或治疗HCV感染、中风、多发性硬化、HBV感染、HPV感染、哮喘、癌症、肌萎缩症、败血症、缺血/再灌注损伤和心力衰竭等疾病或紊乱。
• Indenoisoquinolinone Analogs and Methods of Use Thereof
  申请人：JAGTAP Prakash

  公开号：US20100004220A1

  公开（公告）日：2010-01-07

  The present invention relates to Indenoisoquinolinone Analogs, compositions comprising an effective amount of an Indenoisoquinolinone Analog and methods for treating or preventing an inflammatory disease, a reperfusion injury, diabetes mellitus, a diabetic complication, reoxygenation injury resulting from organ transplantation, an ischemic condition, a neurodegenerative disease, renal failure, a vascular disease, a cardiovascular disease, cancer, a complication of prematurity, cardiomyopathy, retinopathy, nephropathy, neuropathy, erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of an Indenoisoquinolinone Analog.

  本发明涉及Indenoisoquinolinone类似物，包括有效量的Indenoisoquinolinone类似物组成的组合物，以及用于治疗或预防炎症性疾病、再灌注损伤、糖尿病、糖尿病并发症、器官移植引起的再氧化损伤、缺血状况、神经退行性疾病、肾功能衰竭、血管疾病、心血管疾病、癌症、早产并发症、心肌病、视网膜病变、肾病、神经病变、勃起功能障碍或尿失禁的方法，包括向需要的受体中注射有效量的Indenoisoquinolinone类似物。
• INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF
  申请人：Jagtap Prakash

  公开号：US20100121049A1

  公开（公告）日：2010-05-13

  The present invention relates to Indenoisoquinolinone Analogs, compositions comprising an effective amount of an Indenoisoquinolinone Analog and methods for treating or preventing an inflammatory disease, a reperfusion injury, diabetes mellitus, a diabetic complication, reoxygenation injury resulting from organ transplantation, an ischemic condition, a neurodegenerative disease, renal failure, a vascular disease, a cardiovascular disease, cancer, a complication of prematurity, cardiomyopathy, retinopathy, nephropathy, neuropathy, erectile dysfunction or urinary incontinence, comprising administering to a subject in need thereof an effective amount of an Indenoisoquinolinone Analog.

  本发明涉及吲哚异喹啉衍生物，包括含有效量的吲哚异喹啉衍生物的组合物及其用于治疗或预防炎症性疾病、再灌注损伤、糖尿病、糖尿病并发症、器官移植所致的再氧化损伤、缺血症、神经退行性疾病、肾衰竭、血管疾病、心血管疾病、癌症、早产并发症、心肌病、视网膜病、肾病、神经病变、勃起功能障碍或尿失禁的方法，包括向需要治疗的受体中投与有效量的吲哚异喹啉衍生物。
• US8119654B2
  申请人：——

  公开号：US8119654B2

  公开（公告）日：2012-02-21
• US9072696B2
  申请人：——

  公开号：US9072696B2

  公开（公告）日：2015-07-07