环丁基-吡啶-3-基甲基-胺 | 185509-76-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 环丁基-吡啶-3-基甲基-胺
• 英文名称: N-[(Pyridin-3-yl)methyl]cyclobutanamine
• 英文别名: N-(pyridin-3-ylmethyl)cyclobutanamine
• CAS: 185509-76-6
• 化学式: C₁₀H₁₄N₂
• 分子量: 162.235
• InChiKey: UFFMGQWREGJEFM-UHFFFAOYSA-N

物化性质

• 沸点：
  277.7±15.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-苯基-1H-吲哚-3-基)乙酸 、 环丁基-吡啶-3-基甲基-胺 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-Cyclobutyl-2-(2-phenyl-1H-indol-3-yl)-N-pyridin-3-ylmethyl-acetamide
  参考文献：
  名称：

  2-Arylindole-3-acetamides：FPP竞争性法呢基蛋白转移酶抑制剂。

  摘要：

  已经鉴定出一系列2-芳基吲哚-3-乙酰胺法呢基蛋白转移酶抑制剂。所述化合物以法呢基焦磷酸竞争性的方式抑制酶，并且相对于相关的酶香叶基香叶基转移酶-I对法呢基蛋白转移酶具有选择性。当抑制香叶基香叶基化时，该系列抑制剂的代表性成员在基于细胞的测定中证明对HDJ-2和K-Ras法尼基化具有同等效力。

  DOI：

  10.1016/s0960-894x(01)00061-0
• 作为产物：
  描述：

  3-吡啶甲醛 、 环丁基胺 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 环丁基-吡啶-3-基甲基-胺
  参考文献：
  名称：

  Pyrrolidine-modified and 6-substituted analogs of nicotine: A structure—affinity investigation

  摘要：

  Because the structural requirements for the binding of nicotine to central nicotine receptors remain largely uninvestigated, we undertook a systematic investigation of pyrrolidine ring-opened analogs. This led to a subsequent investigation of related conformationally restricted derivatives of these analogs. The results are reported relative to the binding of several well-known and widely used nicotine receptor ligands. Although none of the ring-opened analogs binds with higher affinity than (-)nicotine (K-i = 2.3 nM), 3-(N-methyl-N-ethylaminomethyl)pyridine (12a; K-i = 28 nM) binds with significant affinity. A conformationally restricted analog of 12a, N-methyl [2,7]naphthyridine 30b (K-i = 18 nM), binds with similar affinity. 6-Substitution of 12a and racemic nicotine seems to be tolerated when the substituent is halogen or methyl. In functional studies (hypolocomotion and antinociception in mice; stimulus generalization in nicotine-trained rats) 30b retains nicotine-like properties. Several of the 6-substituted compounds were 2 to 20 times more potent than (+/-)nicotine. Although the intact pyrrolidine ring of nicotine appears important for optimal affinity, its pre presence is not an absolute requirement for activity, and 6-position substitution of the pyridine nucleus can influence both binding and functional activity.

  DOI：

  10.1016/s0223-5234(97)89850-9