1-[2-(Acetylthio)ethyl]-1-(2-cyclopentylethyl)-3-(4-pyridylmethyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[2-(Acetylthio)ethyl]-1-(2-cyclopentylethyl)-3-(4-pyridylmethyl)urea
• 英文别名: 1-[2-(Acetylthio)ethyl]-1-(2-cyclopentylethyl)-3-(pyridin-4-ylmethyl)urea；S-[2-[2-cyclopentylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate
• 化学式: C₁₈H₂₇N₃O₂S
• 分子量: 349.497
• InChiKey: UZZSVSYECJVTCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• 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 BEARING NITROGENOUS AROMATIC HETEROCYCLES
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1103543A1

  公开（公告）日：2001-05-30

  Novel urea derivatives represented by general formula (I) and salts thereof, which exhibit an inhibitory effect against the production of TNF-α and are useful as remedies for various diseases, particularly autoimmune diseases such as rheumatoid arthritis, wherein R1 is H, alkyl, phenyl or formula (II) R2 is H, alkyl, carboxyl, an ester thereof or the like; R3 and R4 are each H, alkyl, cycloalkyl or the like; R5 is H, alkyl, hydroxyl or the like; R6 is a nitrogenous aromatic heterocycle; and A1 and A2 are each alkylene.

  通式(I)代表的新型脲衍生物及其盐类，对TNF-α的产生有抑制作用，可用于治疗各种疾病，特别是自身免疫性疾病，如类风湿性关节炎，其中R1是H、烷基、苯基或式(II)R2是H、烷基、羧基、其酯或类似物；R3 和 R4 分别是 H、烷基、环烷基或类似物； R5 是 H、烷基、羟基或类似物； R6 是含氮芳香杂环；以及 A1 和 A2 分别是亚烷基。
• US6420398B2
  申请人：——

  公开号：US6420398B2

  公开（公告）日：2002-07-16