N-甲基-N-[(2,5-二甲氧基苯基)甲基]胺 | 32065-63-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-甲基-N-[(2,5-二甲氧基苯基)甲基]胺
• 英文名称: N-(2,5-dimethoxyphenyl)-N'-phenylthiourea
• 英文别名: 1-(2,5-dimethoxyphenyl)-3-phenylthiourea；N-(2,5-dimethoxy-phenyl)-N'-phenyl-thiourea；N-(2,5-Dimethoxy-phenyl)-N'-phenyl-thioharnstoff；(ω-Phenyl-thioureido)-hydrochinon-dimethylaether
• CAS: 32065-63-7
• 化学式: C₁₅H₁₆N₂O₂S
• 分子量: 288.37
• InChiKey: DYIPNXQBWVUFEX-UHFFFAOYSA-N

物化性质

• 溶解度：
  >43.3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为产物：
  描述：

  1,4-二甲氧基-2-硝基苯 在 sodium amalgam 、 乙醇 作用下， 生成 N-甲基-N-[(2,5-二甲氧基苯基)甲基]胺
  参考文献：
  名称：

  Baessler, Chemische Berichte, 1884, vol. 17, p. 2124

  摘要：

  DOI：

文献信息

• Synthesis and in vitro urease inhibitory activity of N,N′-disubstituted thioureas
  作者：Khalid Mohammed Khan、Farzana Naz、Muhammad Taha、Ajmal Khan、Shahnaz Perveen、M.I. Choudhary、Wolfgang Voelter

  DOI：10.1016/j.ejmech.2014.01.001

  日期：2014.3

  Thiourea derivatives (1–38) were synthesized and evaluated for their urease inhibition potential. The synthetic compounds showed a varying degree of in vitro urease inhibition with IC50 values 5.53 ± 0.02–91.50 ± 0.08 μM, most of which are superior to the standard thiourea (IC50 = 21.00 ± 0.11 μM). In order to ensure the mode of inhibition of these compounds, the kinetic study of the most active compounds

  硫脲衍生物（1 - 38）的合成和评价它们的脲酶抑制潜力。合成化合物对尿素酶的体外抑制程度不同，IC 50值为5.53±0.02–91.50±0.08μM，其中大多数优于标准硫脲（IC 50  = 21.00±0.11μM）。为了确保抑制这些化合物的方式，已经对最具活性的化合物进行了动力学研究。发现这些抑制剂中的大多数是混合型抑制剂，但具有竞争性的化合物13和30除外，而化合物19被确定为与Ki竞争的非竞争性抑制剂。 值介于8.6和19.29μM之间。
• Antileishmanial Thioureas: Synthesis, Biological Activity and <i>in Silico</i> Evaluations of New Promising Derivatives
  作者：Gil Mendes Viana、Deivid Costa Soares、Marcos Vinicius Santana、Lilian Henriques do Amaral、Paloma Wetler Meireles、Raquel Pinto Nunes、Luiz Cláudio Rodrigues Pereira da Silva、Lúcia Cruz de Sequeira Aguiar、Carlos Rangel Rodrigues、Valeria Pereira de Sousa、Helena Carla Castro、Paula Alvarez Abreu、Plínio Cunha Sathler、Elvira Maria Saraiva、Lucio Mendes Cabral

  DOI：10.1248/cpb.c17-00293

  日期：——

  peritoneal macrophages (CC50>200 µM), except for thiourea 3e (CC50=49.22 µM). After that, the most promising thioureas (3k, 3l, 3p, 3q and 3v) showed IC50 ranging from 70 to 150 µM against L. amazonensis amastigotes in infected macrophages. Except for thiourea 3p, the leishmanicidal activity of the derivatives were independent of nitric oxide (NO) production. Thioureas 3q and 3v affected promastigotes cell cycle

  利什曼病是一种由利什曼原虫属的原生动物寄生虫引起的被忽视的热带病。当前，可用于治疗该疾病的药物具有高毒性，并伴随着寄生虫抗性的发展。为了克服这些问题，已努力寻找新的和更有效的利什曼杀菌药。这项研究的目的是合成和研究N，N'-二取代的硫脲对亚马逊利什曼原虫的杀菌作用，并评估它们在计算机上的药代动力学和毒性。我们的结果表明，使用简单的反应条件，可以高到中等的收率获得不同的硫脲。九种硫脲衍生物（3e，3i，3k，3l，3p，3q，3v，3x和3z）对寄生前鞭毛体有活性（IC50 21.48-189.10 µM），除硫脲3e（CC50 = 49.22 µM）以外，对小鼠腹膜巨噬细胞（CC50> 200 µM）具有低细胞毒性。此后，最有希望的硫脲（3k，3l，3p，3q和3v）对感染的巨噬细胞中的亚马逊线虫变形虫表现出的IC50为70至150 µM。除硫脲3p以外，衍生物的杀菌杀伤活性与一氧化氮（N
• Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems
  申请人：Utterodt Andreas

  公开号：US20070040151A1

  公开（公告）日：2007-02-22

  A two-component initiator system having accelerators for curing polymerizable materials comprising the following components: (a) a hydroperoxide compound containing one or more hydroperoxide groups that are bound to a tertiary carbon; (b) a thiourea derivative; and (c) as accelerator, a copper compound which is soluble in the preparation is preferably free of amine and is particularly suited for polymerizable dental compositions.
• THIOUREA DERIVATIVES AS a-CHYMOTRYPSIN INHIBITORS
  申请人：Rahman Atta-ur

  公开号：US20150080580A1

  公开（公告）日：2015-03-19

  α-Chymotrypsin inhibitors of thiourea class are reported that could be potent inhibitors of proteases, elastases, proteasomes, NS3 and NS4 serine protease of hepatitis C virus, dengue virus, etc. Compounds 1 - 22, which are belong to thiourea class, showed good inhibition. Their kinetics study and cytotoxicity profiles showed all type of inhibition except uncompetitive-type inhibition and no cytotoxicity except few compounds. Competitive type of inhibitors could inhibit other α-chymotrypsin-like serine proteases, which are therapeutics target.

表征谱图