(E)-2-(2-fluoro-4-(trifluoromethyl)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-(2-fluoro-4-(trifluoromethyl)benzylidene)hydrazine-1-carboximidamide
• 英文别名: 2-[(E)-[2-fluoro-4-(trifluoromethyl)phenyl]methylideneamino]guanidine
• 化学式: C₉H₈F₄N₄
• 分子量: 248.183
• InChiKey: ASHKCLANUSUOAP-AYSLTRBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.26
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  肼甲酰亚胺酰胺一氯化氢 、 2-氟-4-(三氟甲基)苯甲醛 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以74%的产率得到(E)-2-(2-fluoro-4-(trifluoromethyl)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

• METHODS FOR TREATING PROTOZOAN INFECTIONS
  申请人：Neoculi Pty Ltd

  公开号：EP3188722A1

  公开（公告）日：2017-07-12
• COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS
  申请人：Chow Suk Hen

  公开号：US20150246140A1

  公开（公告）日：2015-09-03

  In some aspects, the invention relates to methods of treating conditions associated with sleep disorders, comprising administering an agent that modulates the activity of a neuropeptide receptor or a neuropeptide receptor ligand. In some aspects, the invention relates to methods of screening agents that modulate the activity of a neuropeptide receptor in an organism, optionally using cells or organisms comprising a genetic modification that affects a neuropeptide signaling pathway. In some aspects, the invention relates to methods of characterizing a condition associated with a sleep disorder comprising sequencing a nucleic acid encoding either a neuropeptide receptor or a neuropeptide receptor ligand and comparing the sequence with a reference sequence.
• [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.
• Gram‐Positive and Gram‐Negative Antibiotic Activity of Asymmetric and Monomeric Robenidine Analogues
  作者：Cecilia C. Russell、Andrew Stevens、Hongfei Pi、Manouchehr Khazandi、Abiodun D. Ogunniyi、Kelly A. Young、Jennifer R. Baker、Siobhann N. McCluskey、Stephen W. Page、Darren J. Trott、Adam McCluskey

  DOI：10.1002/cmdc.201800463

  日期：2018.12.6

  except with concomitant introduction of an imine C‐alkyl group. The activity of these analogues against MRSA and VRE ranged from 8 μg mL−1 to inactive (MIC>128 μg mL−1) with the naphthyl and indole analogues. Gram‐negative activity was most promising with two compounds at 16 μg mL−1 against E. coli. Against P. aeruginosa, the highest activity observed was with MIC values of 32 μg mL−1 with another two analogues

  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