2-[(3-甲基丁基)氨基]乙醇 | 71172-58-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-[(3-甲基丁基)氨基]乙醇
• 英文名称: 2-((2-methylbutyl)amino)ethan-1-ol
• 英文别名: N-(2-Hydroxyethyl)-N-(2-methylbutyl)amine；2-(2-Methylbutylamino)ethanol
• CAS: 71172-58-2
• 化学式: C₇H₁₇NO
• 分子量: 131.218
• InChiKey: LYOUIPAWIRANIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(3-甲基丁基)氨基]乙醇 在 盐酸 、 氯化亚砜 作用下， 生成 N-(2-chloroethyl)-N-(2-methylbutyl)ammonium chloride
  参考文献：
  名称：

  Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents

  摘要：

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。

  公开号：

  US06353006B1

文献信息

• Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors
  作者：Helen V. Waldschmidt、Renee Bouley、Paul D. Kirchhoff、Pil Lee、John J.G. Tesmer、Scott D. Larsen

  DOI：10.1016/j.bmcl.2018.03.082

  日期：2018.5

  G protein-coupled receptor (GPCR) kinases (GRKs) regulate the desensitization and internalization of GPCRs. Two of these, GRK2 and GRK5, are upregulated in heart failure and are promising targets for heart failure treatment. Although there have been several reports of potent and selective inhibitors of GRK2 there are few for GRK5. Herein, we describe a ligand docking approach utilizing the crystal

  G蛋白偶联受体（GPCR）激酶（GRKs）调节GPCR的脱敏和内在化。其中两个GRK2和GRK5在心力衰竭中被上调，并有望成为心力衰竭治疗的靶标。尽管有几篇关于GRK2的有效和选择性抑制剂的报道，但关于GRK5的报道却很少。在本文中，我们描述了利用GRK2-Gβγ·GSK180736A和GRK5·CCG215022配合物的晶体结构进行配体对接的方法，以寻找预计可赋予GRK2和/或GRK5效力和选择性的酰胺取代基。通过这项活动，我们成功地产生了两种新的强效GRK5抑制剂，尽管它们都没有表现出对GRK2的选择性。
• Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents
  申请人：——

  公开号：US20030207865A1

  公开（公告）日：2003-11-06

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  本发明涉及2-芳基亚胺杂环，包括2-芳基亚胺-1,3-噻唑啉，2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪，2-芳基亚胺-1,3-噻唑啉-4-酮，2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这种治疗的制药组合物。
• Substituted Tetrazole Compounds and Uses Thereof
  申请人：Yang Rui-Yang

  公开号：US20090130117A1

  公开（公告）日：2009-05-21

  The present invention provides tetrazole compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the tetrazole compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention.

  本发明提供了四唑类化合物及其制备方法。本发明还涉及包含四唑类化合物的药物组合物。本发明提供了通过向需要治疗的受体内给予本发明化合物的治疗有效量来治疗细胞增殖性疾病，如癌症的方法。
• 1,3-Dialkyl-2-imidazolidinones and a manufacturing process therefor
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP0992497A1

  公开（公告）日：2000-04-12

  1,3-dialkyl-2-imidazolidinones are made by a process involving a direct one-step reaction from industrially available alkylene carbonate, N-alkylethanolamine or 1,2-diol; the process can minimize formation of solid material and can be readily conducted in a large-scale industrial production with high yield and few byproducts. The process is characterized in that alkylene carbonate, N-alkylethanolamine or 1,2-diol is reacted with monoalkylamine and carbon dioxide, alkylcarbamate alkylamine salt, and/or 1,3-dialkyurea, by heating them at 50°C or higher in a reactor whose area in contact with at least part of the reactants and/or products is made of a metal comprising titanium or zirconium and/or an oxide thereof, or an inorganic glass.

  1,3-二烷基-2-咪唑烷酮是由工业上可获得的碳酸亚烷基酯、N-烷基乙醇胺或 1,2-二醇直接一步反应制得的；该工艺可最大限度地减少固体物质的形成，并易于进行大规模工业生产，产量高，副产品少。该工艺的特点是：碳酸亚烷基酯、N-烷基乙醇胺或 1,2-二醇与单烷基胺和二氧化碳、烷基氨基甲酸酯烷基胺盐和/或 1,3-二基脲在 50°C 或更高温度下在反应器中加热反应，反应器与至少部分反应物和/或产物接触的区域由钛或锆和/或其氧化物组成的金属或无机玻璃制成。
• 1,3-dialkyl-2-imidazolidinones and a manufacturing process therefor
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1148051A2

  公开（公告）日：2001-10-24

  1,3-dialkyl-2-imidazolidinones are made by a process involving a direct one-step reaction from industrially available alkylene carbonate, N-alkylethanolamine or 1,2-diol; the process can minimize formation of solid material and can be readily conducted in a large-scale industrial production with high yield and few byproducts. The process is characterized in that alkylene carbonate, N-alkylethanolamine or 1,2-diol is reacted with monoalkylamine and carbon dioxide, alkylcarbamate alkylamine salt, and/or 1,3-dialkyurea, by heating them at 50°C or higher in a reactor whose area in contact with at least part of the reactants and/or products is made of a metal comprising titanium or zirconium and/or an oxide thereof, or an inorganic glass.

  1,3-二烷基-2-咪唑烷酮是由工业上可获得的碳酸亚烷基酯、N-烷基乙醇胺或 1,2-二醇直接一步反应制得的；该工艺可最大限度地减少固体物质的形成，并易于进行大规模工业生产，产量高，副产品少。该工艺的特点是：碳酸亚烷基酯、N-烷基乙醇胺或 1,2-二醇与单烷基胺和二氧化碳、烷基氨基甲酸酯烷基胺盐和/或 1,3-二基脲在 50°C 或更高温度下在反应器中加热反应，反应器与至少部分反应物和/或产物接触的区域由钛或锆和/或其氧化物组成的金属或无机玻璃制成。