2,8-dimethyl-2,8-diaza-spiro[4.5]decane-1,3-dione | 96785-61-4

• 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: 2,8-dimethyl-2,8-diaza-spiro[4.5]decane-1,3-dione
• 英文别名: 2,8-Dimethyl-2,8-diazaspiro[4.5]decane-1,3-dione
• CAS: 96785-61-4
• 化学式: C₁₀H₁₆N₂O₂
• 分子量: 196.249
• InChiKey: GUYAGHBYTMWDLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,8-dimethyl-2,8-diaza-spiro[4.5]decane-1,3-dione 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2,8-Dimethyl-2,8-diazaspiro[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 、 甲胺 以 水 为溶剂， 以78%的产率得到2,8-dimethyl-2,8-diaza-spiro[4.5]decane-1,3-dione
  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

• [EN] SPIROXUCCINIMIDES, PRODUCTION AND UTILIZATION THEREOF
  申请人：SANDOZ AG

  公开号：WO1985000171A1

  公开（公告）日：1985-01-17

  (EN) Compounds having the formula (I) wherein A, R2, R3, R4, R5, X1, X2, m and n have the meaning given in claim 1, production thereof and drugs containing said compounds.(FR) Composés de formule (I) où A, R2, R3, R4, R5, X1, X2, m et n ont la signification donnée dans la revendication 1, leur fabrication et médicaments contenant lesdits composés.
• Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists
  作者：G Cignarella、S Villa、F Cattabeni、F Renò、M Cimino、PG De Benedetti、D Barlocco

  DOI：10.1016/0223-5234(94)90195-3

  日期：1994.1

  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.