N'-(pyridin-3-ylmethyl)pyridine-4-carboximidamide | 1422507-67-2

• 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
• 英文名称: N'-(pyridin-3-ylmethyl)pyridine-4-carboximidamide
• CAS: 1422507-67-2
• 化学式: C₁₂H₁₂N₄
• 分子量: 212.254
• InChiKey: YCSMALSCVJWYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  64.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氰基吡啶 、 3-氨甲基吡啶 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以72%的产率得到N'-(pyridin-3-ylmethyl)pyridine-4-carboximidamide
  参考文献：
  名称：

  Synthesis of amidine and bis amidine derivatives and their evaluation for anti-inflammatory and anticancer activity

  摘要：

  2-Cyanopyridine (1a), 4-cyanopyridine (1b), 2-cyanopyrazine (1c) on condensation with mono amines (2a-c) and diamines (4a-c) in the presence of sodium methoxide as catalyst gave amidine derivatives (3a-i) and bis amidine derivatives (5a-i) in good yields. All these compounds were fully characterized by spectroscopic means and elemental analysis. On screening for anti-inflammatory activity and for in vitro anticancer activity compounds 5c and 5d exhibited good anti-inflammatory activity whereas compounds 5d breast (T47D), 5h, 5i lung (NCI H-522), 5i colon (HCT-15), 3c, 3h, 5i ovary (PA-1) and 3c, 5b, 5h liver (HepG2) exhibited good anticancer activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.10.046

文献信息

• Synthesis of amidine and bis amidine derivatives and their evaluation for anti-inflammatory and anticancer activity
  作者：Surbhi Arya、Nikhil Kumar、Partha Roy、S.M. Sondhi

  DOI：10.1016/j.ejmech.2012.10.046

  日期：2013.1

  2-Cyanopyridine (1a), 4-cyanopyridine (1b), 2-cyanopyrazine (1c) on condensation with mono amines (2a-c) and diamines (4a-c) in the presence of sodium methoxide as catalyst gave amidine derivatives (3a-i) and bis amidine derivatives (5a-i) in good yields. All these compounds were fully characterized by spectroscopic means and elemental analysis. On screening for anti-inflammatory activity and for in vitro anticancer activity compounds 5c and 5d exhibited good anti-inflammatory activity whereas compounds 5d breast (T47D), 5h, 5i lung (NCI H-522), 5i colon (HCT-15), 3c, 3h, 5i ovary (PA-1) and 3c, 5b, 5h liver (HepG2) exhibited good anticancer activity. (C) 2012 Elsevier Masson SAS. All rights reserved.