(E)-2-(4-(tert-butyl)benzylidene)hydrazine-1-carboximidamide

• 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: (E)-2-(4-(tert-butyl)benzylidene)hydrazine-1-carboximidamide
• 英文别名: 2-[(E)-(4-tert-butylphenyl)methylideneamino]guanidine
• 化学式: C₁₂H₁₈N₄
• 分子量: 218.302
• InChiKey: QSVVEAXWJNNLQP-OVCLIPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对叔丁基苯甲醛 、 肼甲酰亚胺酰胺一氯化氢 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以66%的产率得到(E)-2-(4-(tert-butyl)benzylidene)hydrazine-1-carboximidamide
  参考文献：
  名称：

  不对称和单体罗布定类似物的革兰氏阳性和革兰氏阴性抗生素活性

  摘要：

  罗非替丁的去对称化（1：N '，2-二（（E）-4-氯苄叉）肼-1-羧酰亚胺肼）和亚胺烷基取代基的引入具有良好的抗生素活性。值得注意的是，两种类似物对耐万古霉素的肠球菌（VRE）的效力有所提高，其中一种的MIC为0.5μgmL -1。发现有五个类似物比铅1具有更强的效价。吲哚部分的引入导致针对甲氧西林抗性金黄色葡萄球菌（MRSA）的活性最强的robenidine类似物，MIC为1.0μgmL -1。亚胺C = NH等位基因（C = O / C = S）不活跃。单体类似物为16–64μgmL-1对MRSA和VRE有效。缺少末端酰肼NH部分的类似物在64μgmL -1下显示适度的革兰氏阴性活性。研究表明，在16–64μgmL -1下， 4-叔丁基类似物对革兰氏阳性和阴性菌株均具有活性。通常，除伴随引入亚胺C-烷基外，对芳香族基团的其他修饰耐受性差。这些类似物对MRSA和VRE的活性范围为8μgmL

  DOI：

  10.1002/cmdc.201800463

文献信息

• Self-assembled active agents
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US11166464B2

  公开（公告）日：2021-11-09

  A self-assembled active agent may be formed by a process including covalently bonding at least a first component molecule and a second component molecule, the two component molecules displaying synergy such that the effective amount of the self-assembled active agent is lower than the sum of the effective amounts of the first component molecule and the second component molecule. The component molecules may be chosen such that the covalent bonding is reversible, for example through a hydrazone bond between an amine and an aldehyde. The active agent may thus have controllable activity such as an antimicrobial agent, a biocide, an antiviral agent, a preservative, an antifouling agent, a disinfectant, or a sensor agent, such as for a particular molecule or for pH.

  自组装活性剂可通过一种工艺形成，该工艺包括至少共价键合第一组分分子和第二组分分子，这两种组分分子显示出协同作用，从而使自组装活性剂的有效量低于第一组分分子和第二组分分子的有效量之和。可以选择共价键可逆的组分分子，例如通过胺和醛之间的腙键。因此，活性剂可具有可控活性，如抗菌剂、杀菌剂、抗病毒剂、防腐剂、防污剂、消毒剂或传感剂，如针对特定分子或 pH 值的传感剂。
• METHODS FOR TREATING PROTOZOAN INFECTIONS
  申请人：Neoculi Pty Ltd

  公开号：EP3188722A1

  公开（公告）日：2017-07-12
• SELF-ASSEMBLED ACTIVE AGENTS
  申请人：The United States of America, as represented by the Secretary of Agriculture

  公开号：US20220015367A1

  公开（公告）日：2022-01-20

  A self-assembled active agent may be formed by a process including covalently bonding at least a first component molecule and a second component molecule, the two component molecules displaying synergy such that the effective amount of the self-assembled active agent is lower than the sum of the effective amounts of the first component molecule and the second component molecule. The component molecules may be chosen such that the covalent bonding is reversible, for example through a hydrazone bond between an amine and an aldehyde. The active agent may thus have controllable activity such as an antimicrobial agent, a biocide, an antiviral agent, a preservative, an antifouling agent, a disinfectant, or a sensor agent, such as for a particular molecule or for pH.
• [EN] METHODS FOR TREATING PROTOZOAN INFECTIONS<br/>[FR] MÉTHODES DE TRAITEMENT D'INFECTIONS À PROTOZOAIRES
  申请人：NEOCULI PTY LTD

  公开号：WO2016033635A1

  公开（公告）日：2016-03-10

  The invention provides compounds of Formula (I), and their use in methods for treating or preventing a protozoan infection in a subject using a compound of Formula (I). The invention also provides the use of a compound of Formula (I) in the manufacture of a medicament for the treatment of a protozoan infection in a subject. The invention further provides a medical device when used in a method of treating or preventing a protozoan infection in a subject and to a medical device comprising the composition of the invention.