N-(2-hydroxyethyl)-2-cyclohexylethylamine hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2-hydroxyethyl)-2-cyclohexylethylamine hydrochloride
• 英文别名: 2-Cyclohexyl-N-(2-hydroxyethyl)ethylamine Hydrochloride；2-(2-cyclohexyl-ethylamino)-ethanol; hydrochloride；2-(2-Cyclohexyl-aethylamino)-aethanol; Hydrochlorid；2-(2-cyclohexylethylamino)ethanol;hydrochloride
• 化学式: C₁₀H₂₁NO*ClH
• 分子量: 207.744
• InChiKey: MZNSKUBQHWBTDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-氨基丙基)吡咯烷 、 N-(2-hydroxyethyl)-2-cyclohexylethylamine hydrochloride 、 N,N'-羰基二咪唑 生成 1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-[3-(1-pyrrolidinyl) propyl] urea
  参考文献：
  名称：

  EP1172359

  摘要：

  公开号：
• 作为产物：
  描述：

  2-环己基溴乙烷 、 ammonium chloride 、 C.I.酸性橙108 在 盐酸 、 sodium hydroxide 、 sodium iodide 、 potassium carbonate 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 以2.2 g (51%)的产率得到N-(2-hydroxyethyl)-2-cyclohexylethylamine hydrochloride
  参考文献：
  名称：

  Urea derivatives and pharmaceutical compositions thereof

  摘要：

  本发明的目的在于创造具有尿素结构作为基本结构，并在侧链中具有硫原子和酰胺键的化合物，并发现其药理作用，特别是TNF-α产生抑制作用。本发明提供由以下通式[I]表示的化合物，其中R1为H、烷基、芳香基、RA—CO—、RC—S—或通式[II]；R2、R3和R4为H、烷基、烯基、环烷基、环烯基或芳香基；R5和R6为H、烷基、烯基、环烷基、环烯基或芳香基；R5和R6可以一起形成非芳香性杂环环；R7为H、烷基、环烷基、羟基、巯基、苯基、RB—O—、RC—S—、RD—COS—、RE—OCO—、RF—N(RG)—或—CONHOH；A1和A2为亚烷基。

  公开号：

  US06492370B1

文献信息

• N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives
  申请人：——

  公开号：US20020068763A1

  公开（公告）日：2002-06-06

  N-Substituted-N′-substituted urea derivatives represented by the following formula, analogs thereof or pharmaceutically acceptable salts thereof are herein provided. These compounds show a TNF-&agr; production inhibitory activity. 1

  本文提供了以下式子所代表的N-取代的N'-取代脲衍生物、类似物或其药学上可接受的盐。这些化合物表现出TNF-α生产抑制活性。1
• Novel urea derivatives having nitrogen aromatic heterocycle
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：US20010041725A1

  公开（公告）日：2001-11-15

  An object of the present invention is to provide novel urea derivatives which have TNF-&agr; production inhibitory effects and are useful as therapeutic agents for various diseases, particularly as therapeutic agents for autoimmune diseases such as rheumatoid arthritis. The urea derivatives according to the present invention are compounds represented by the formula [I] and salts thereof. In the formula, R 1 is H, alkyl, phenyl or a group of the formula [`I]; R 2 is H, alkyl, carboxyl or ester thereof or the like; R 3 and R 4 are each H, alkyl, cycloalkyl or the like; R 5 is H, alkyl, hydroxy or the like; R 6 is a nitrogen aromatic heterocycle; and A 1 and A 2 are alkylene. 1

  本发明的目的是提供一种新的尿素衍生物，其具有TNF-α生产抑制作用，并可用作各种疾病的治疗剂，特别是作为自身免疫性疾病（如类风湿性关节炎）的治疗剂。本发明的尿素衍生物是由式[I]及其盐所表示的化合物。在该式中，R1为H、烷基、苯基或式[I]的基团；R2为H、烷基、羧基或其酯等；R3和R4分别为H、烷基、环烷基或类似物；R5为H、烷基、羟基或类似物；R6为氮杂环芳基；A1和A2为烷基。
• Novel urea derivatives
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：US20020198376A1

  公开（公告）日：2002-12-26

  Objects of the present invention are to create compounds having urea structure as basic structure and having a sulfur atom and an amide bond in side chains and to find pharmacological effects thereof, particularly TNF-&agr; production inhibitory effects. The present invention provides compounds represented by the following formula [I] wherein R 1 is H, alkyl, aromatic, R A —CO—, R C —S— or the formula [II]; R 2 , R 3 and R 4 are H, alkyl, alkenyl, cycloalkyl, cycloalkenyl or aromatic; R 5 and R 6 are H, alkyl, alkenyl, cycloalkyl, cycloalkenyl or aromatic; R 5 and R 6 can together form a nonaromatic heterocyclic ring; R7 is H, alkyl, cycloalkyl, hydroxy, mercapto, phenyl, R B —O—, R C —S—, R D —COS—, R E —OCO—, R F —N(R G )— or —CONHOH; and A 1 and A 2 are alkylene. 1

  本发明的目的是创建具有尿素结构作为基本结构并在侧链中具有硫原子和酰胺键的化合物，并发现其药理作用，特别是TNF-α生产抑制作用。本发明提供由以下式子（I）表示的化合物，其中R1为H、烷基、芳香基、RA—CO—、RC—S—或式子（II）；R2、R3和R4为H、烷基、烯基、环烷基、环烯基或芳香基；R5和R6为H、烷基、烯基、环烷基、环烯基或芳香基；R5和R6可以一起形成非芳香杂环；R7为H、烷基、环烷基、羟基、巯基、苯基、RB—O—、RC—S—、RD—COS—、RE—OCO—、RF—N(RG)—或—CONHOH；A1和A2为烷基。
• N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents
  申请人：——

  公开号：US20020077357A1

  公开（公告）日：2002-06-20

  N-Substituted-N′-substituted urea derivatives represented by the following formula, analogs thereof or pharmaceutically acceptable salts thereof are herein provided. These compounds show a TNF-&agr; production inhibitory activity. 1

  以下提供了由下式表示的N-取代-N'-取代脲衍生物、其类似物或药学上可接受的盐。这些化合物表现出TNF-α生产抑制活性。1
• N-substituted-N′-substituted urea derivatives and pharmaceutical compositions containing the derivatives
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US06683200B2

  公开（公告）日：2004-01-27

  N-Substituted-N′-substituted urea derivatives represented by the following formula, analogs thereof or pharmaceutically acceptable salts thereof are herein provided. These compounds show a TNF-&agr; production inhibitory activity.

  以下提供了由下式表示的N-取代-N'-取代脲衍生物、其类似物或药学上可接受的盐。这些化合物表现出TNF-α生产抑制活性。