N-([1,1'-biphenyl]-3-yl)-2-chloroacetamide | 89473-63-2

• 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: N-([1,1'-biphenyl]-3-yl)-2-chloroacetamide
• 英文别名: 2-chloro-N-(3-phenylphenyl)acetamide
• CAS: 89473-63-2
• 化学式: C₁₄H₁₂ClNO
• 分子量: 245.708
• InChiKey: NJPRIKLESLSYBZ-UHFFFAOYSA-N

物化性质

• 沸点：
  457.0±38.0 °C(Predicted)
• 密度：
  1.233±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-([1,1'-biphenyl]-3-yl)-2-chloroacetamide 在 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 N-([1,1'-biphenyl]-3-yl)-2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)acetamide
  参考文献：
  名称：

  作为潜在的糖基转移酶抑制剂的伊斯汀衍生物的基于结构的设计，合成和生物学评估

  摘要：

  肽聚糖糖基转移酶（PGT）已被证明是抑制细菌细胞壁生物合成的重要药理靶标。对金黄色葡萄球菌青霉素结合蛋白2（金黄色葡萄球菌PBP2）的糖基转移酶（GT）结构域的晶体结构进行约3,000万市售化合物的基于结构的虚拟筛选，结果发现了靛红衍生物2-（ 3-（2-氨基甲酰肼基）-2-氧吲哚-1-基）-N-（间甲苯基）乙酰胺（4）作为潜在的新型GT抑制剂。合成了一系列的4种衍生物。几种化合物显示出比初始命中化合物更有效的抗菌活性4，尤其是2-（3-（2-氨基甲酰肼基）-2-氧吲哚-1-基）-N-（3-硝基苯基）乙酰胺（4l），对革兰氏阳性枯草芽孢杆菌和金黄色葡萄球菌的MIC值为24和 48μg / mL。饱和转移差异（STD）NMR研究表明，在4l和金黄色葡萄球菌PBP2的GT结构域之间存在结合接触。竞争性STD-NMR进一步证明了4l和Moenomycin A以竞争性方式与GT结构域结合。分子对接

  DOI：

  10.1111/cbdd.12361
• 作为产物：
  描述：

  3-氨基联苯 生成 N-([1,1'-biphenyl]-3-yl)-2-chloroacetamide
  参考文献：
  名称：

  Acetamides and benzamides that are useful in treating sexual dysfunction

  摘要：

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。

  公开号：

  US20040029887A1

文献信息

• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT CERTAINES UTILITÉS PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2021011722A1

  公开（公告）日：2021-01-21

  This disclosure relates to compounds having pesticidal utility against pests in phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such compounds and intermediates used in such processes, compositions containing such compounds, and processes of using such compounds against such pests. These compounds/molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses compounds having the following formula (Formula One and/or Formula One-A).

  这份披露涉及具有杀虫作用的化合物，可用于鞭虫门、节肢动物门和/或软体动物门的害虫，用于生产这种化合物的过程和用于这种过程的中间体，含有这种化合物的组合物，以及使用这种化合物对抗这些害虫的过程。这些化合物/分子可以用作线虫杀剂、螨虫杀剂、杀虫剂、螨虫剂和/或软体动物杀虫剂。本文件披露了具有以下化学式的化合物（化学式一和/或化学式一-A）。
• Substituted heterocyclic compounds
  申请人：Zablocki Jeff

  公开号：US20060052605A1

  公开（公告）日：2006-03-09

  Disclosed are novel piperazine derivatives, useful for the treatment of various disease states, in particular diseases such as atrial and ventricular arrhythmias, diabetes, intermittent claudication, Prinzmetal's (variant) angina, stable and unstable angina, exercise induced angina, congestive heart disease, and myocardial infarction.

  本发明涉及一种新型哌嗪衍生物，可用于治疗各种疾病状态，特别是如心房和心室心律失常、糖尿病、间歇性跛行、普林兹梅塔尔（变异型）心绞痛、稳定和不稳定性心绞痛、运动诱发性心绞痛、充血性心力衰竭和心肌梗死等疾病。
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  作者：Feng Gao、Xiaoyu Ding、Zhongying Cao、Wei Zhu、Yaya Fan、Barbara Steurer、Hailong Wang、Xin Cai、Man Zhang、Alex Aliper、Feng Ren、Xiao Ding、Alex Zhavoronkov

  DOI：10.1016/j.bmc.2024.117633

  日期：2024.2

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  DOI：10.1016/j.bmc.2015.08.014

  日期：2015.10

  3-Nitro-1H-1,2,4-triazole-and 2-nitro-1H-imidazole-based amides with an aryloxy-phenyl core were synthesized and evaluated as antitrypanosomal agents. All 3-nitrotriazole-based derivatives were extremely potent anti-Trypanosoma cruzi agents at sub nM concentrations and exhibited a high degree of selectivity for the parasite. The 2-nitroimidazole analogs were only moderately active against T. cruzi amastigotes and exhibited low selectivity. Both types of compound were active against Leishmania donovani axenic amastigotes with excellent selectivity for the parasite, whereas three 2-nitroimidazole-based analogs were also moderately active against infected macrophages. However, no compound demonstrated selective activity against Trypanosoma brucei rhodesiense. The most potent in vitro anti-T. cruzi compounds were tested in an acute murine model and reduced the parasites to an undetectable level after five days of treatment at 13 mg/kg/day. Such compounds are potential inhibitors of T. cruzi CYP51 and, being excellent substrates for the type I nitroreductase (NTR) which is specific to trypanosomatids, work as prodrugs and constitute a new generation of effective and more affordable antitrypanosomal agents. (C) 2015 Elsevier Ltd. All rights reserved.
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  作者：Dmitry O. Koltun、Timothy A. Marquart、Kevin D. Shenk、Elfatih Elzein、Yuan Li、Marie Nguyen、Suresh Kerwar、Dewan Zeng、Nancy Chu、Daniel Soohoo、Jia Hao、Victoria Y. Maydanik、David A. Lustig、Khing-Jow Ng、Heather Fraser、Jeffery A. Zablocki

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