二氨基亚甲基-(4-甲基苯基)铵硝酸盐 | 79574-98-4

• 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: 二氨基亚甲基-(4-甲基苯基)铵硝酸盐
• 英文名称: 4-Tolylguanidin-nitrat
• 英文别名: N-(4-methylphenyl)guanidinium nitrate；p-tolyl-guanidine; nitrate；p-Tolyl-guanidin; Nitrat；p-tolylguanidinium nitrate；2-(4-methylphenyl)guanidine;nitric acid
• CAS: 79574-98-4
• 化学式: C₈H₁₁N₃*HNO₃
• 分子量: 212.208
• InChiKey: DXQHLTSWPRBXCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  130
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  二氨基亚甲基-(4-甲基苯基)铵硝酸盐 在 氢氧化钾 作用下， 以 异丙醇 为溶剂， 反应 0.03h， 生成 Phenyl-(2-phenylamino-4-p-tolylamino-thiazol-5-yl)-methanone
  参考文献：
  名称：

  Rajasekharan, K. N.; Sulekha, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 7, p. 549 - 551

  摘要：

  DOI：
• 作为产物：
  描述：

  氰胺 、 乙烷,三氯氟- 在 硝酸 作用下， 以 乙醇 、 水 为溶剂， 以51%的产率得到二氨基亚甲基-(4-甲基苯基)铵硝酸盐
  参考文献：
  名称：

  通过“切割和胶水”策略设计的7-（2-苯胺基嘧啶-4-基）-1-苯并ze庚因-2-酮是双重Aurora A / VEGF-R激酶抑制剂

  摘要：

  尽管蛋白激酶的过表达和过度活跃是导致多种人类癌症的原因，但目前被批准用作抗癌药物的蛋白激酶抑制剂仅能解决其中几种酶的问题。为了确定解决替代蛋白激酶的新化学型，将已知的PLK1 / VEGF-R2抑制剂类别的基本结构进行了正式解剖并重新组装。合成了所得的7-（2-苯胺基嘧啶丁-4-基）-1-苯并ze庚因-2-酮，并证明是Aurora A激酶和VEGF受体激酶的双重抑制剂。与Aurora A配合的新化学型的两个代表的晶体结构显示了ATP结合口袋中的配体取向，并为合理的结构修饰提供了基础。具有连接的磺酰胺取代基的同类物保留了Aurora A的抑制活性。

  DOI：

  10.3390/molecules26061611

文献信息

• 2-(4-Toluidino)pyrimidine
  作者：Alfred Kreutzberger、Jutta Gillessen

  DOI：10.1002/ardp.19843170904

  日期：——

  Aus der Kondensation von 4‐Tolylguanidin (1) mil den β‐Diketonen 2a‐g gehen die 2‐(4‐Toluidino)pyrimidine 3a‐g hervor, unter denen sich Vertreter mit antidiabetischer und antimykotischer Wirksamkeit befinden.

  4-甲苯胍(1)与β-二酮2a-g缩合得到2-(4-甲苯胺)嘧啶3a-g，其中具有抗糖尿病和抗真菌活性的代表。
• DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO-OR NANOEMULSIFICATION
  申请人：Dietz Ulrich

  公开号：US20130090488A1

  公开（公告）日：2013-04-11

  The present invention is directed to solubilizing compounds, a device and a method for solubilizing and removing carboxylic acids and especially fatty acids from oils, fats, aqueous emulsion, aqueous media and organic solutions. Devices utilizing the inventive method shall be used for separating carboxylic acids from oils, fats, aqueous emulsion, lipophilic media or organic solutions, respectively by preparing an aqueous micro- or nanoemulsion of the carboxylic acids especially the fatty acids and the solubilizing compound which contains at least one amidino and/or gianidino group. Solubilization effects of solubilizing compounds combined with the inventive use of separation methods for carboxylic acids can be used to treat persons in need of removal of fatty acids or analyze carboxylic acids from blood or process other solutions in food, pharmacy, chemistry, bio fuel industry or other industrial processings.

  本发明涉及溶解化合物、用于从油、脂肪、水乳液、水介质和有机溶液中溶解和去除羧酸，特别是脂肪酸的装置和方法。采用本发明方法的装置将用于通过制备羧酸特别是脂肪酸和含有至少一种氨基甲酰基和/或肼基团的溶解化合物的水微观或纳米乳液，分离油、脂肪、水乳液、亲脂性介质或有机溶液中的羧酸。溶解化合物的溶解效果与本发明所述的羧酸分离方法相结合，可用于治疗需要去除脂肪酸或从血液中分析羧酸或处理食品、药品、化学、生物燃料工业或其他工业加工过程中的其他溶液的人员。
• DEVICE FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO- OR NANOEMULSIFICATION
  申请人：Dietz, Ulrich

  公开号：EP3042718A1

  公开（公告）日：2016-07-13

  The present invention is directed to a device for solubilizing and removing carboxylic acids and especially fatty acids from oils, fats, aqueous emulsion, aqueous media and organic solutions. Devices utilizing the herein disclosed method shall be used for separating carboxylic acids from oils, fats, aqueous emulsion, lipophilic media or organic solutions, respectively by preparing an aqueous micro- or nanoemulsion of the carboxylic acids especially the fatty acids and the solubilizing compound which contains at least one amidino and/or gianidino group. Solubilization effects of solubilizing compounds combined with the use of the separation methods for carboxylic acids as discloses herein can be used to treat persons in need of removal of fatty acids or analyze carboxylic acids from blood or process other solutions in food, pharmacy, chemistry, bio fuel industry or other industrial processings.

  本发明涉及一种从油、脂肪、水乳液、水介质和有机溶液中增溶和去除羧酸，特别是脂肪酸的装置。通过制备羧酸（尤其是脂肪酸）和至少含有一个脒基和/或胍基的增溶化合物的水性微乳液或纳米乳液，利用本文公开的方法制备的设备可分别用于从油、脂肪、水性乳液、亲油介质或有机溶液中分离羧酸。增溶化合物的增溶作用与本文公开的羧酸分离方法相结合，可用于治疗需要从血液中去除脂肪酸或分析羧酸的人，或处理食品、制药、化学、生物燃料工业或其他工业加工中的其他溶液。
• Discovery, synthesis, and structure–activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators
  作者：Holger Kubas、Udo Meyer、Bjoern Krueger、Mirko Hechenberger、Maksims Vanejevs、Ronalds Zemribo、Valerjans Kauss、Raisa Ambartsumova、Ilya Pyatkin、Alexey I. Polosukhin、Ulrich Abel

  DOI：10.1016/j.bmcl.2013.06.049

  日期：2013.8

  A virtual screening approach using various in silico methodologies led to the discovery of 2-(m-tolylamino)-7,8-dihydroquinazolin-5(6H)-one (1) as a moderately active negative allosteric modulator (NAM) of the metabotropic glutamate receptor subtype 5 (mGluR5) showing high selectivity against the subtype mGluR1. Modifications of the parent compound by rational design yielded a series of highly potent derivatives which will serve as valuable starting points for further hit-to-lead optimization efforts toward a suitable drug candidate for the treatment of L-DOPA induced dyskinesia. (c) 2013 Elsevier Ltd. All rights reserved.
• A novel series of potent and selective IKK2 inhibitors
  作者：Alistair H. Bingham、Richard J. Davenport、Lewis Gowers、Roland L. Knight、Christopher Lowe、David A. Owen、David M. Parry、Will R. Pitt

  DOI：10.1016/j.bmcl.2003.10.047

  日期：2004.1

  A novel series of ammopyrimidine IKK2 inhibitors have been developed which show excellent in vitro inhibition of this enzyme and good selectivity over the IKK1 isoform. The relative potency and selectivity of these compounds has been rationalized using QSAR and structure-based modelling. (C) 2003 Elsevier Ltd. All rights reserved.