4-氧代-2-苯基-2-(2-吡啶基)戊腈 | 101509-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-氧代-2-苯基-2-(2-吡啶基)戊腈
• 英文名称: 4-oxo-2-phenyl-2-(2-pyridyl)pentanenitrile
• 英文别名: 4-Oxo-2-phenyl-2-pyridin-2-ylpentanenitrile
• CAS: 101509-01-7
• 化学式: C₁₆H₁₄N₂O
• 分子量: 250.3
• InChiKey: FQKHPNGDKORLNC-UHFFFAOYSA-N

物化性质

• 沸点：
  394.7±42.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氧代-2-苯基-2-(2-吡啶基)戊腈 在 sodium tetrahydroborate 、 硫酸 、 四氯化钛 作用下， 以 溶剂黄146 为溶剂， 反应 3.33h， 生成 伐米胺
  参考文献：
  名称：

  Synthesis and Anticholinergic Activity of the Four Stereoisomers of 4-(Dimethylamino)-2-phenyl-2-(2-pyridyl)pentanamide

  摘要：

  The four stereoisomers of 4-(dimethylamino)-2-phenyl-(2-pyridyl)pentanamide were synthesized, and the absolute configurations were determined by X-ray crystallography. Pharmacological testing for anticholinergic activity revealed great differences in potency among 10 (2R,4R, IC50 = 0.40 mu M), 11 (2S,4S, 31 mu M), 12 (2R,4S, 170 mu M), and 13 (2S,4R, 0.13 mu M). A new drug application for the racemate 8 (FK176, vamicamide) has been filed in Japan for the treatment of overactive detrusor syndrome.

  DOI：

  10.1021/jm00035a019
• 作为产物：
  描述：

  苯基吡啶-2-乙腈 以83的产率得到4-氧代-2-苯基-2-(2-吡啶基)戊腈
  参考文献：
  名称：

  J. Med. Chem. 1994, 37, 1378-1381

  摘要：

  DOI：

文献信息

• Oyasu Hitoshi, Nagano Masanobu, Akahane Atsushi, Tomoi Masaaki, Tada Tosh+, J. Med. Chem, 37 (1994) N 9, S 1378-1381
  作者：Oyasu Hitoshi, Nagano Masanobu, Akahane Atsushi, Tomoi Masaaki, Tada Tosh+

  DOI：——

  日期：——
• UEHDA, IKUO;NAGANO, MASANOBU;AKABANEH, ATSUSI
  作者：UEHDA, IKUO、NAGANO, MASANOBU、AKABANEH, ATSUSI

  DOI：——

  日期：——
• Synthesis and Anticholinergic Activity of the Four Stereoisomers of 4-(Dimethylamino)-2-phenyl-2-(2-pyridyl)pentanamide
  作者：Hitoshi Oyasu、Masanobu Nagano、Atsushi Akahane、Masaaki Tomoi、Toshiji Tada、Masaaki Matsuo

  DOI：10.1021/jm00035a019

  日期：1994.4

  The four stereoisomers of 4-(dimethylamino)-2-phenyl-(2-pyridyl)pentanamide were synthesized, and the absolute configurations were determined by X-ray crystallography. Pharmacological testing for anticholinergic activity revealed great differences in potency among 10 (2R,4R, IC50 = 0.40 mu M), 11 (2S,4S, 31 mu M), 12 (2R,4S, 170 mu M), and 13 (2S,4R, 0.13 mu M). A new drug application for the racemate 8 (FK176, vamicamide) has been filed in Japan for the treatment of overactive detrusor syndrome.
• J. Med. Chem. 1994, 37, 1378-1381
  作者：

  DOI：——

  日期：——