N1-(4-chlorophenyl)-N5-(3,4-dichlorobenzyl)-biguanide hydrochloride | 146509-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N1-(4-chlorophenyl)-N5-(3,4-dichlorobenzyl)-biguanide hydrochloride
• 英文别名: 1-[amino-(4-chloroanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine;hydrochloride
• CAS: 146509-95-7
• 化学式: C₁₅H₁₄Cl₃N₅*ClH
• 分子量: 407.13
• InChiKey: BFHICXVJGSYIAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.8
• 氢给体数：
  4
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二丁基丙基膦酸酯 生成 N1-(4-chlorophenyl)-N5-(3,4-dichlorobenzyl)-biguanide hydrochloride
  参考文献：
  名称：

  Synthesis and structure-activity relationships of novel antiseptics

  摘要：

  For the purpose of developing new antiseptics, we searched for compounds having high biocidal activity covering both gram-positive and gram-negative bacteria. Accordingly, we designed 1,5-disubstituted biguanides and synthesized them using two alternative efficient reaction schemes. The bactericidal activity of these biguanides was assayed by the micro titration plate method. Among the biguanides synthesized, 3,4-dichlorobenzyl derivatives were found to exhibit particularly high bactericidal activity. Ultimately, compound 11 was chosen as a candidate novel antiseptic, which is currently under continued. evaluation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00297-7

文献信息

• Biguanide derivatives, manufacturing method thereof, and disinfectants
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US05376686A1

  公开（公告）日：1994-12-27

  The invention presents a biguanide derivative or its salt expressed by a formula: ##STR1## (where R.sup.1 and R.sup.2 are as defined in Specification), or formula: ##STR2## (where A and R.sup.3 is as defined in specification). This biguanide derivative or its salt is preferably used as the effective amount of a disinfectant for humans, animals, medical appliances, etc.

  该发明提供了一种由以下式子表示的双胍衍生物或其盐：##STR1## （其中R.sup.1和R.sup.2如规范中所定义），或式：##STR2## （其中A和R.sup.3如规范中所定义）。该双胍衍生物或其盐可作为人类、动物、医疗器械等的消毒剂的有效成分。
• Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0507317B1

  公开（公告）日：1997-01-15
• Synthesis and structure-activity relationships of novel antiseptics
  作者：Hidetsugu Tsubouchi、Kinue Ohguro、Koichi Yasumura、Hiroshi Ishikawa、Mikio Kikuchi

  DOI：10.1016/s0960-894x(97)00297-7

  日期：1997.7

  For the purpose of developing new antiseptics, we searched for compounds having high biocidal activity covering both gram-positive and gram-negative bacteria. Accordingly, we designed 1,5-disubstituted biguanides and synthesized them using two alternative efficient reaction schemes. The bactericidal activity of these biguanides was assayed by the micro titration plate method. Among the biguanides synthesized, 3,4-dichlorobenzyl derivatives were found to exhibit particularly high bactericidal activity. Ultimately, compound 11 was chosen as a candidate novel antiseptic, which is currently under continued. evaluation. (C) 1997 Elsevier Science Ltd.