N-heptyl-1-nonylpyridin-4-imine;hydrochloride | 103923-37-1

• 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-heptyl-1-nonylpyridin-4-imine;hydrochloride
• CAS: 103923-37-1
• 化学式: C₂₁H₃₈N₂*ClH
• 分子量: 355.007
• InChiKey: XBSVXIBNTKMWTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  15.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-氯代壬烷 、 4-(辛基氨基)吡啶 以37%的产率得到N-heptyl-1-nonylpyridin-4-imine;hydrochloride
  参考文献：
  名称：

  In vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines

  摘要：

  A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against several other oral plaque-forming microorganisms and is presently undergoing preclinical evaluation.

  DOI：

  10.1021/jm00118a030

文献信息

• WENTLAND, MARK P.;BAILEY, DENIS M.;POWLES, RONALD G.;SLEE, ANDREW M.;SEDL+, J. MED. CHEM., 31,(1988) N 10, C. 409
  作者：WENTLAND, MARK P.、BAILEY, DENIS M.、POWLES, RONALD G.、SLEE, ANDREW M.、SEDL+

  DOI：——

  日期：——
• In vitro dental plaque inhibitory properties of a series of N-[1-alkyl-4(1H)-pyridinylidene]alkylamines
  作者：Mark P. Wentland、Denis M. Bailey、Ronald G. Powles、Andrew M. Slee、David M. Sedlock

  DOI：10.1021/jm00118a030

  日期：1988.10

  A series of novel N-[1-alkyl-4(1H)-pyridinylidene]alkylamine hydrohalides has been prepared and evaluated as inhibitors of dental plaque formation, in vitro. Several members of the series exhibited potency ca. 9-fold greater than that of chlorhexidine vs Streptococcus sobrinus 6715-13. The di-n-octyl analogue, 11 (pirtenidine), was found to be highly efficacious against several other oral plaque-forming microorganisms and is presently undergoing preclinical evaluation.