1-[1-(Cycloocten-1-ylmethyl)piperidin-4-yl]-3-(2,6-dichloropyridin-4-yl)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-[1-(Cycloocten-1-ylmethyl)piperidin-4-yl]-3-(2,6-dichloropyridin-4-yl)urea
• 英文别名: 1-[1-(cycloocten-1-ylmethyl)piperidin-4-yl]-3-(2,6-dichloropyridin-4-yl)urea
• 化学式: C₂₀H₂₈Cl₂N₄O
• 分子量: 411.4
• InChiKey: DWAZFUPFAJNBKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  57.3
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Piperidin-4-yl urea derivatives and related compounds as chemokine receptor inhibitors for the treatment of inflammatory diseases
  申请人：Watson John Robert

  公开号：US20050113414A1

  公开（公告）日：2005-05-26

  Cyclic amino derivatives of formula (1) are described: (1) wherein: m and n, which may be the same or different, is each zero or the integer 1 or 2; Alk 3 is a covalent bond or a straight or branched C 1-6 alkylene chain; R 1 and R 2 , which may be the same or different, is each a hydrogen atom or a straight or branched C 1-6 alkyl group; D is an optionally substituted aromatic or heteroaromatic group; E is an optionally substituted C 7-10 cycloalkyl, C 7-10 cycloalkenyl or C 7-10 polycycloaliphatic group; and the salts, solvates, hydrates, tautomers or N-oxides thereof. The compounds are potent and selective modulators of the interaction between CXCR3 and its chemokine ligands and are thus of use in medicine, for example in the prevention or treatment of conditions involving inappropriate T-cell trafficking such as certain inflammatory, autoimmune and immunoregulatory disorders as described hereinafter.

  描述了公式（1）的环状氨衍生物：（1）其中：m和n，可以相同或不同，均为零或整数1或2; Alk3是共价键或直链或支链C1-6烷基链; R1和R2，可以相同或不同，均为氢原子或直链或支链C1-6烷基基团; D是可选的取代芳香族或杂环芳香族基团; E是可选的取代C7-10环烷基，C7-10环烯基或C7-10多环脂肪族基团;以及其盐，溶剂化物，水合物，互变异构体或N-氧化物。这些化合物是CXCR3与其趋化因子配体之间相互作用的强效和选择性调节剂，因此在医学上有用，例如在预防或治疗涉及不适当T细胞转移的疾病中，如下所述的某些炎症，自身免疫和免疫调节性疾病。