3-Methyl-7-ethyl-3,7-diaza-bicyclo<3.3.1>nonan | 46113-74-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-Methyl-7-ethyl-3,7-diaza-bicyclo<3.3.1>nonan
• 英文别名: N-Methyl-N'-ethylbispidin；3-ethyl-7-methyl-3,7-diaza-bicyclo[3.3.1]nonane；3-Ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
• CAS: 46113-74-0
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: GJDUNZCMNXHJCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methyl-7-ethyl-3,7-diaza-bicyclo<3.3.1>nonan 、 碘甲烷 在 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 生成 (S)-7-Ethyl-3,3-dimethyl-7-aza-3-azonia-bicyclo[3.3.1]nonane; iodide
  参考文献：
  名称：

  Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39

  摘要：

  Here, we report the synthesis and structure of three high-silica molecular sieves, SSZ-35, SSZ-36, and SSZ-39, that are prepared from a library of 37 different cyclic and polycyclic quaternized amine molecules that are used as structure-directing agents (SDAs). The size and shape of the quaternized amine molecules are purposely designed in order to obtain novel zeolite structures, and the synthesis of these molecules is presented. The selectivity for the three molecular sieve phases is found to depend on both the SDA and the degree of heteroatom lattice substitution of Al3+ or B3+ in the silicate framework. Molecular modeling is utilized to probe the effects of the nonbonded SDA/zeolite-framework interaction energy on the selectivity for the observed molecular sieve phase. The Rietveld refinement of the powder X-ray data confirms the structure of the SSZ-39 zeolite to be isomorphous with the aluminophosphate molecular sieve, SAPO-LS (AEI). The structure of SSZ-36 is found to possess a range of fault probabilities between the two-dimensional channel system, end-member polymorphs, ITQ-3 and RUB-13 (International Zeolite Association Codes ITE and RTH, respectively). The SSZ-35 structure is reported to contain a one-dimensional pore system possessing stacked cages circumscribed by alternating rings of 10 and 18 tetrahedral atoms (10- and 18-membered rings).

  DOI：

  10.1021/ja990722u
• 作为产物：
  描述：

  碘乙烷 、 3-Methyl-7-ethyl-bispid-8-on 以 甲醇 为溶剂， 生成 3-Methyl-7-ethyl-3,7-diaza-bicyclo<3.3.1>nonan
  参考文献：
  名称：

  Guest/Host Relationships in the Synthesis of the Novel Cage-Based Zeolites SSZ-35, SSZ-36, and SSZ-39

  摘要：

  Here, we report the synthesis and structure of three high-silica molecular sieves, SSZ-35, SSZ-36, and SSZ-39, that are prepared from a library of 37 different cyclic and polycyclic quaternized amine molecules that are used as structure-directing agents (SDAs). The size and shape of the quaternized amine molecules are purposely designed in order to obtain novel zeolite structures, and the synthesis of these molecules is presented. The selectivity for the three molecular sieve phases is found to depend on both the SDA and the degree of heteroatom lattice substitution of Al3+ or B3+ in the silicate framework. Molecular modeling is utilized to probe the effects of the nonbonded SDA/zeolite-framework interaction energy on the selectivity for the observed molecular sieve phase. The Rietveld refinement of the powder X-ray data confirms the structure of the SSZ-39 zeolite to be isomorphous with the aluminophosphate molecular sieve, SAPO-LS (AEI). The structure of SSZ-36 is found to possess a range of fault probabilities between the two-dimensional channel system, end-member polymorphs, ITQ-3 and RUB-13 (International Zeolite Association Codes ITE and RTH, respectively). The SSZ-35 structure is reported to contain a one-dimensional pore system possessing stacked cages circumscribed by alternating rings of 10 and 18 tetrahedral atoms (10- and 18-membered rings).

  DOI：

  10.1021/ja990722u

文献信息

• Inhibitors of Histone Deacetylase
  申请人：Deziel Robert

  公开号：US20080207590A1

  公开（公告）日：2008-08-28

  This invention relates to compounds for the inhibition of histone deacetylase. More particularly, the invention provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  该发明涉及用于抑制组蛋白去乙酰化酶的化合物。更具体地，该发明提供了式（I）中Q、J、L和Z所定义的化合物。
• INHIBITORS OF HISTONE DEACETYLASE
  申请人：Déziel Robert

  公开号：US20110196147A1

  公开（公告）日：2011-08-11

  This invention relates to compounds for the inhibition of histone deacetylase. More particularly, the invention provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  本发明涉及用于抑制组蛋白去乙酰化酶的化合物。更具体地，本发明提供了公式（I）中Q、J、L和Z所定义的化合物。
• METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE
  申请人：EnVivo Pharmaceuticals, Inc.

  公开号：US20150080325A1

  公开（公告）日：2015-03-19

  This disclosure relates to compounds for the inhibition of histone deacetylase and treatment of a cognitive disorder or deficit. More particularly, the disclosure provides for compounds of formula (I) wherein (I), Q, J, L and Z are as defined in the specification.

  本公开涉及用于抑制组蛋白去乙酰化酶和治疗认知障碍或缺陷的化合物。更具体地，本公开提供了式(I)的化合物，其中(I)，Q，J，L和Z如规范中定义。
• US8399452B2
  申请人：——

  公开号：US8399452B2

  公开（公告）日：2013-03-19