3-Phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-Phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one
• 化学式: C₂₂H₂₀F₃N₅O
• 分子量: 427.4
• InChiKey: FCHANISIRYTBLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Pyridine and pyrimidine derivatives
  申请人：Davis Martin Jeremy

  公开号：US20050080258A1

  公开（公告）日：2005-04-14

  Compounds of formula (1) are described in which R a and R b is each independently a hydrogen atom or a group R c , or R a and R b together form an oxo (═O) or thio (═S) group; X is a N atom or an optionally substituted CH group: Y is a —O— or —S— atom or —SO— or —SO 2 — group or an optionally substituted —CH 2 — or —NH— group with the proviso that when R a and R b together form an oxo (═O) or thio (═S) group Y is an optionally substituted —CH 2 — or —NH-group; L 1 is a covalent bond or a linker atom or group; p is zero or the integer 1; Alk 1 is an optionally substituted C 1-10 aliphatic or C 1-10 heteroaliphatic chain; n is zero the integer 1, 2 or 3 with the proviso that when n is zero Y is an optionally substituted —CH 2 — group: Ar is an optionally substituted C 6-12 aromatic or C 1-9 heteroaromatic group; m is zero or the integer 1, 2 or 3; q is zero or the integer 1 or 2; R 1 , R c and R d are hydrogen atoms or the substituents described in the patent specification; and the salts, solvates, hydrates and N-oxides thereof. The compounds are potent and selective inhibitors of p38 kinase and are useful in the treatment of immune or inflammatory disorders.

  公式（1）的化合物如下所述：其中Ra和Rb分别独立地是氢原子或基团Rc，或者Ra和Rb共同形成氧（═O）或硫（═S）基团；X是N原子或可选取代的CH基团；Y是—O—或—S—原子或—SO—或—SO2—基团或可选取代的—CH2—或—NH—基团，但当Ra和Rb共同形成氧（═O）或硫（═S）基团时，Y是可选取代的— —或—NH—基团；L1是共价键或连接原子或基团；p为零或整数1；Alk1是可选取代的C1-10脂肪或C1-10杂脂肪链；n为零或整数1、2或3，但当n为零时，Y是可选取代的— —基团；Ar是可选取代的C6-12芳香或C1-9杂芳基团；m为零或整数1、2或3；q为零或整数1或2；R1、Rc和Rd是氢原子或专利说明书中描述的取代基；以及其盐、溶剂化合物、水合物和N-氧化物。这些化合物是p38激酶的有效选择性抑制剂，可用于治疗免疫或炎症性疾病。
• US7323464B2
  申请人：——

  公开号：US7323464B2

  公开（公告）日：2008-01-29