3,3-二甲基-1,5-二氧杂-9-氮杂螺[5.5]十一烷 | 65535-86-6

• 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: 3,3-二甲基-1,5-二氧杂-9-氮杂螺[5.5]十一烷
• 英文名称: 3,3-Dimethyl-1,5-dioxa-9-aza-spiro<5.5>undecan
• 英文别名: 3,3-Dimethyl-9-aza-1,5-dioxaspiro<5,5>undecan；3,3-dimethyl-1,5-dioxa-9-aza-spiro[5.5]undecane；3,3-Dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane
• CAS: 65535-86-6
• 化学式: C₁₀H₁₉NO₂
• mdl: MFCD16622054
• 分子量: 185.266
• InChiKey: YLYCRECLQBDSHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-二甲基-1,5-二氧杂-9-氮杂螺[5.5]十一烷 在 磺酰胺 作用下， 以 乙二醇二甲醚 为溶剂， 生成 3,3-Dimethyl-9-sulfamoyl-1,5-dioxa-9-aza-spiro<5.5>undecan
  参考文献：
  名称：

  磺胺脲降糖药。I.合成和筛选。

  摘要：

  DOI：

  10.1021/jm00330a009
• 作为产物：
  描述：

  9-Benzyl-3,3-dimethyl-1,5-dioxa-9-aza-spiro<5.5>undecan 以68%的产率得到
  参考文献：
  名称：

  ARYA V. P.; DAVID J.; GREWAL R. S., INDIAN J. CHEM. , 1977, B 15, NO 7, 635-640

  摘要：

  DOI：

文献信息

• Design and synthesis of spirocyclic compounds as HCV replication inhibitors by targeting viral NS4B protein
  作者：Vincent W.-F. Tai、Dulce Garrido、Daniel J. Price、Andrew Maynard、Jeffrey J. Pouliot、Zhiping Xiong、John W. Seal、Katrina L. Creech、Luz H. Kryn、Todd M. Baughman、Andrew J. Peat

  DOI：10.1016/j.bmcl.2014.03.080

  日期：2014.5

  Two novel series of spirocyclic piperidine analogs appended to a pyrazolo[1,5-alpha] pyridine core were designed, synthesized and evaluated for their anti-HCV activity. A series of piperidine ketals afforded dispiro 6p which showed excellent in vitro anti-HCV activities (EC50 of 1.5 nM and 1.2 nM against genotype 1a and 1b replicons, respectively). A series of piperidine oxazolidinones afforded 27c which showed EC50's of 10.9 nM and 6.1 nM against 1a and 1b replicons, respectively. Both compounds 6p and 27c bound directly to non-structural NS4B protein in vitro (IC50's = 10.2 and 30.4 nM, respectively) and exhibited reduced potency in replicons containing resistance mutations encoding changes in the NS4B protein. (C) 2014 Elsevier Ltd. All rights reserved.
• Arya,V.P. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1977, vol. 15B, p. 635 - 640
  作者：Arya,V.P. et al.

  DOI：——

  日期：——