N-({1-[4-(2,5-dimethyl-pyrrol-1-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-({1-[4-(2,5-dimethyl-pyrrol-1-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
• 英文别名: N-[2-[[1-[4-(2,5-dimethylpyrrol-1-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
• 化学式: C₂₅H₃₁F₃N₄O₂
• 分子量: 476.542
• InChiKey: OEKTZWKCHPJLMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-{[1-(4-amino-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide trifluoroacetate 、 2,5-己二酮 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 生成 N-({1-[4-(2,5-dimethyl-pyrrol-1-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
  参考文献：
  名称：

  4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2

  摘要：

  本发明包括式(I)的化合物。其中：X、R1、R2、R3和R4如规范中所定义。该发明还包括一种预防、治疗或改善综合症、紊乱或疾病的方法，其中所述综合症、紊乱或疾病是II型糖尿病、肥胖和哮喘。该发明还包括通过给哺乳动物施用至少一种式(I)化合物的治疗有效量来抑制CCR2活性的方法。

  公开号：

  US20100267668A1

文献信息

• 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2
  申请人：Janssen Pharmaceutica N.V.

  公开号：US08324186B2

  公开（公告）日：2012-12-04

  The present invention comprises compounds of Formula (I). wherein: X, R1, R2, R3, and R4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明涉及式（I）化合物，其中：X、R1、R2、R3和R4如规范中所定义。本发明还涉及一种预防、治疗或改善综合症、障碍或疾病的方法，所述综合症、障碍或疾病为2型糖尿病、肥胖症和哮喘。本发明还涉及通过给哺乳动物施加至少一种式（I）化合物的治疗有效剂量来抑制CCR2活性的方法。
• US8324186B2
  申请人：——

  公开号：US8324186B2

  公开（公告）日：2012-12-04
• [EN] 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2<br/>[FR] ANTAGONISTES DE CCR2 À BASE DE 4-AZÉTIDINYL-1-HÉTÉROATOME-CYCLOHEXANE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010121036A1

  公开（公告）日：2010-10-21

  The present invention comprises compounds of Formula (I). wherein: X, R1, R2, R3, and R4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).
• 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20100267668A1

  公开（公告）日：2010-10-21

  The present invention comprises compounds of Formula (I). wherein: X, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明包括式(I)的化合物。其中：X、R1、R2、R3和R4如规范中所定义。该发明还包括一种预防、治疗或改善综合症、紊乱或疾病的方法，其中所述综合症、紊乱或疾病是II型糖尿病、肥胖和哮喘。该发明还包括通过给哺乳动物施用至少一种式(I)化合物的治疗有效量来抑制CCR2活性的方法。