吡替尼定盐酸盐 | 100227-05-2

• 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
• 中文名称: 吡替尼定盐酸盐
• 英文名称: N-<1-octyl-4(1H)-pyridinylidene>octanamine monohydrochloride
• 英文别名: N-(1-octyl-4(1H)-pyridinylidene)octanamine monohydrochloride；N,1-dioctylpyridin-4-imine;hydron;chloride
• CAS: 100227-05-2
• 化学式: C₂₁H₃₈N₂*ClH
• 分子量: 355.007
• InChiKey: BQXQJMORUIBOJL-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-氯辛烷 、 4-(辛基氨基)吡啶 反应 2.0h， 以94%的产率得到吡替尼定盐酸盐
  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

• [EN] OCTENIDINE BASED COMPOUNDS<br/>[FR] COMPOSÉS À BASE D'OCTÉNIDINE
  申请人：DISHMAN CARBOGEN AMCIS LTD

  公开号：WO2019038669A1

  公开（公告）日：2019-02-28

  The present invention discloses Octenidine based compounds of formula (A) or formula (B) and formula(C) where in, n=1,2,3,4 and R'=un-substituted or substituted aryl or alkyl group; R is hydroxy or hydrogen, X is chlorine, bromine and iodine. The present invention also relates to a process for the preparation thereof.

  本发明披露了基于八亚甲基-4,5-二氮杂-2-丙醇（Octenidine）的化合物，其化学式为（A）或（B）和（C），其中n=1,2,3,4，R'=未取代或取代的芳基或烷基；R为羟基或氢，X为氯、溴和碘。本发明还涉及一种制备该化合物的方法。
• Antimicrobial (N-1-octyl-4(1H)-pyridinylidine)octanamine and acid
  申请人：Sterling Drug Inc.

  公开号：US04598082A1

  公开（公告）日：1986-07-01

  N-[1-(alkyl or arylmethyl)-4(1H)-pyridinylidine]-alkanamine and pharmaceutically acceptable acid addition salts thereof, for example, N-(1-octyl-4(1H)-pyridinylidine)octanamine monohydrochloride salt, which are useful as antimicrobial agents, especially on living tissues and nonliving surfaces and most especially against pathogenic dental microbes, and a process for preparation, methods of use and compositions thereof are disclosed.

  本发明涉及一种N-[1-(烷基或芳基甲基)-4(1H)-吡啶基亚胺基]-烷基胺及其药学上可接受的酸盐，例如N-(1-辛基-4(1H)-吡啶基亚胺基)辛基胺单盐酸盐，其作为抗微生物剂特别是针对生物组织和非生物表面，尤其是针对致病的牙齿微生物的有效成分，以及制备方法、使用方法和组合物。
• Antimicrobial N-[1-(alkyl or
  申请人：Sterling Drug Inc.

  公开号：US04839372A1

  公开（公告）日：1989-06-13

  N-[1-alkyl or arylmethyl)-4(1H)-pyridinylidine]-alkanamine and pharmaceutically acceptable acid addition salts thereof, for example, N-(1-octyl-4(1H)-pyridinylidine)-octanamine monohydrochloride salt, which are useful as antimicrobial agents, especially on living tissues and nonliving surfaces and most especially against pathogenic dental microbes, and a process for perparation, methods of use and compositions thereof are disclosed.

  本发明涉及N-[1-烷基或芳基甲基)-4(1H)-吡啶烯]-烷基胺及其药学上可接受的酸盐加合物，例如N-(1-辛基-4(1H)-吡啶烯)-辛胺单盐酸盐，其作为抗微生物剂，特别是在活体组织和非活体表面上，尤其是对致病的牙齿微生物，以及其制备方法，使用方法和组合物。
• Anti-microbial N-(1-(alkyl or arylmethyl)-4(1H)-pyridinylidine)alkanamines and acid addition salts thereof and process for preparation, methods of use and compositions thereof
  申请人：STERLING DRUG INC.

  公开号：EP0174632A1

  公开（公告）日：1986-03-19

  N-[1-(alkyl or arylmethyl)-4(1H)-pyridinylidine]alkanamine and pharmaceutically acceptable acid addition salts thereof, for example, N-(1-octyl-4(1H)-pyridinylidinel-octan- amine monohydrochloride salt, which are useful as antimicrobial agents, especially on living tissues and non-living surfaces and most especially against pathogenic dental microbes, and a process for preparation, methods of use and compositions thereof are disclosed.

  本发明公开了 N-[1-(烷基或芳基甲基)-4(1H)-吡啶基]烷胺及其药学上可接受的酸加成盐，例如 N-(1-辛基-4(1H)-吡啶基)辛胺单盐酸盐，它们可用作抗菌剂，特别是在生物组织和非生物表面上，尤其是针对牙科病原微生物，并公开了其制备工艺、使用方法和组合物。
• Octendidine based compounds
  申请人：DISHMAN CARBOGEN AMCIS LTD.

  公开号：US11014907B2

  公开（公告）日：2021-05-25

  The present invention discloses Octenidine based compounds of formula (A) or formula (B) and formula (C) where in, n=1, 2, 3, 4 and R′=un-substituted or substituted aryl or alkyl group; R is hydroxy or hydrogen, X is chlorine, bromine and iodine. The present invention also relates to a process for the preparation thereof.

  本发明公开了式(A)或式(B)和式(C)的辛烯胺基化合物，其中，n＝1、2、3、4，R′＝未取代或取代的芳基或烷基；R为羟基或氢，X为氯、溴和碘。本发明还涉及其制备工艺。