4-羟基-2-甲基苯胺盐酸盐 | 42961-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-羟基-2-甲基苯胺盐酸盐
• 英文名称: 4-amino-m-cresol hydrochloride
• 英文别名: 4-hydroxy-2-methylaniline hydrochloride；4-amino-3-methylphenol hydrochloride；4-Hydroxy-2-methyl-phenyl-ammonium chloride；4-Amino-3-methylphenol;hydron;chloride；4-amino-3-methylphenol;hydron;chloride
• CAS: 42961-88-6
• 化学式: C₇H₉NO*ClH
• 分子量: 159.615
• InChiKey: SVBTYYPNKULGBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  46.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-3-(2-chloro-ethyl)-2-methyl-quinoline 、 4-羟基-2-甲基苯胺盐酸盐 以 正丁醇 为溶剂， 反应 20.0h， 以12%的产率得到1-(4-hydroxy-2-methylphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
  参考文献：
  名称：

  Reversible inhibitors of the gastric (H+/K+)-ATPase. 1. 1-Aryl-4-methylpyrrolo[3,2-c]quinolines as conformationally restrained analogs of 4-(arylamino)quinolines

  摘要：

  The 4-(arylamino)quinoline 4, previously described as an antiulcer compound, is shown to be an inhibitor of the gastric (H+/K+)-ATPase. It is postulated that 1-arylpyrrolo[3,2-c]quinolines 6 act as conformationally restrained analogues of 4. A series of derivatives of 6 has been prepared and shown to be potent inhibitors of the target enzyme in vitro. Substitution in the ortho position of the aryl ring is important for activity. Unsaturation in the 5-membered ring makes little difference, but introduction of heteroatoms into the same ring markedly reduces activity. In more detailed kinetic experiments, 15c and 4 both show reversible, K(+)-competitive binding to the enzyme, with submicromolar Ki values. The compounds appear to act at the lumenal face of the enzyme and to require protonation for activity. Several compounds in the series are shown to be potent inhibitors of pentagastrin-stimulated acid secretion in the rat.

  DOI：

  10.1021/jm00164a010

文献信息

• Proteomimetic compounds and methods
  申请人：——

  公开号：US20030008882A1

  公开（公告）日：2003-01-09

  The present invention relates to compounds and pharmaceutical compositions which are proteomimetic and to methods for inhibiting the interaction of an alpha-helical protein with another protein or binding site. Methods for treating diseases or conditions which are modulated through interactions between alpha helical proteins and their binding sites are other aspects of the invention.

  本发明涉及具有蛋白质拟态作用的化合物和药物组合物，以及抑制α-螺旋蛋白与另一蛋白或结合位点相互作用的方法。治疗通过α-螺旋蛋白与其结合位点之间相互作用调节的疾病或病况的方法是本发明的其他方面。
• Pyrrolocinnolines for use as inhibitors of gastric acid secretion
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04988695A1

  公开（公告）日：1991-01-29

  Pyrrolo- and dihydropyrrolocinnolines, and their use as inhibitors of gastric acid secretion. A compound of the invention is 1-(2-methylphenyl)-2,3-dihydropyrrolo-[3,2-c]-cinnoline.

  吡咯和二氢吡咯并喹诺啉，以及它们作为胃酸分泌抑制剂的用途。本发明的化合物是1-(2-甲基苯基)-2,3-二氢吡咯-[3,2-c]-喹诺啉。
• From 0D dimer to 2D Network—Supramolecular Assembly of Organic Derivatized Polyoxometalates with Remote Hydroxyl via Hydrogen Bonding
  作者：Longsheng Wang、Li Zhu、Panchao Yin、Weiwei Fu、Jiake Chen、Jian Hao、Fengping Xiao、Chunlin Lv、Jin Zhang、Lu Shi、Qiang Li、Yongge Wei

  DOI：10.1021/ic900985w

  日期：2009.10.5

  elemental analysis, 1H NMR, and cyclic voltammetry. X-ray structural study reveals that intermolecular and intramolecular hydrogen bonding plays an important role in their supramolecular assembly; it is found that (i) bridged oxo ligands of hexamolybdate cluster are more inclined to form hydrogen bonds as acceptors than terminal oxo ligands in this system; (ii) small solvent molecules with hydrogen bonding

  一系列hexamolybdate的远程羟基官能化有机亚胺衍生物的，（BU 4 N）2 [沫6 ø 18（CRES）]（1）（CRES = 4-氨基-米甲酚），（BU 4 N）2 [沫6 O 17（Cres）2 ]·H 2 O（2），（Bu 4 N）2 [Mo 6 O 18（Phen）]· i -PrOH （Phen =对氨基苯酚）（3），（Bu 4 N）2 [Mo 6 O18（苯）]·EtOH（4），（Bu 4 N）2 [Mo 6 O 17（苯）2 ]（5），（Bu 4 N）2 [Mo 6 O 18（Naph）]（Naph = 5合成了（氨基）-氨基-1-萘基）（6）和（Bu 4 N）2 [Mo 6 O 18（Chex）]·1.5H 2 O（Chex =反式-4-氨基环己醇）（7）晶体X射线衍射，FT-IR光谱，UV-vis光谱，元素分析，11 H NMR和循环伏安法。X射线结构研究表明，
• 2, 4-pyrimidinediamine compounds and their uses
  申请人：Singh Rajinder

  公开号：US20050038243A1

  公开（公告）日：2005-02-17

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联，从而导致化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在多种情况下使用这些化合物的方法，包括在治疗和预防通过去颗粒化和其他由IgE和/或IgG受体信号级联激活的过程引起或与之相关的化学介质释放所表征的疾病中使用。
• 2,4-Pyrimidinediamine compounds and their uses
  申请人：——

  公开号：US20040029902A1

  公开（公告）日：2004-02-12

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联引起化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在多种情境下使用这些化合物的方法，包括在治疗和预防由通过激活IgE和/或IgG受体信号级联引起的脱颗粒化和其他过程释放化学介质的疾病中。