2-{6-[4-(4-fluoro-benzyl)-piperidine-1-carbonyl]-imidazo[1,2-a]pyridin-3-yl}-N,N-dimethyl-2-oxo-acetamide | 436848-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-{6-[4-(4-fluoro-benzyl)-piperidine-1-carbonyl]-imidazo[1,2-a]pyridin-3-yl}-N,N-dimethyl-2-oxo-acetamide
• 英文别名: 2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
• CAS: 436848-17-8
• 化学式: C₂₄H₂₅FN₄O₃
• 分子量: 436.486
• InChiKey: VEIZVWIUPANLBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Piperidine/piperazine-type inhibitors of p38 kinase
  申请人：——

  公开号：US20020198214A1

  公开（公告）日：2002-12-26

  The invention is directed to inhibition of p38-&agr; kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein: Ar 1 is an aryl group substituted with 0-5 non-interfering substituents, wherein two adjacent noninterfering substituents can form a fused aromatic or nonaromatic ring; L 1 and L 2 are linkers; each R 1 is independently a noninterfering substituent; Z 1 is CR 2 or N wherein R 2 is hydrogen or a noninterfering substituent; m is 0-4; each of n and p is an integer from 0-2 wherein the sum of n and p is 0-3; Ar 2 is a substantially planar, monocyclic or polycyclic aromatic moiety having one or more optional ring heteroatoms, said moiety being optionally substituted with one or more non-interfering substituents, two or more of which may form a fused ring; Z is —W i —COX j Y wherein Y is COR 3 or an isostere thereof; R 3 is a noninterfering substituent, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; wherein the smallest number of covalent bonds in the compound separating the atom of Ar 1 bonded to L 2 to the atom of Ar 2 bonded to L 1 is at least 6, where each of said bonds has a bond length of 1.2 to 2.0 angstroms; and/or wherein the distance in space between the atom of Ar 1 bonded to L 2 and the atom of Ar 2 bonded to L 1 is 4.5-24 angstroms; with the proviso that the portion of the compound represented by Ar 2 —Z is not 2 wherein represents a single or double bond; n is 0-3; one Z 2 is CA or CRA and the other is CR, CR 2 , NR or N; A is —W i —COX j Y wherein Y is COR or an isostere thereof, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; Z 3 is NR or O; and each R is independently hydrogen or a noninterfering substituent.

  本发明涉及使用公式1及其药学上可接受的盐或药物组合物来抑制p38-α激酶，其中： Ar1是芳基基团，取代有0-5个不干扰的取代基，其中两个相邻的不干扰的取代基可以形成融合的芳香或非芳香环； L1和L2是连接基； 每个R1独立地是一个不干扰的取代基； Z1是CR2或N，其中R2是氢或不干扰的取代基； m为0-4； n和p各自是0-2的整数，其中n和p的总和为0-3； Ar2是一个具有一个或多个可选环杂原子的基本平面、单环或多环芳香基团，该基团可以选择性地取代有一个或多个不干扰的取代基，其中两个或更多个可以形成融合环； Z是—Wi—COXjY，其中Y是COR3或其同分异构体；R3是不干扰的取代基，W和X各自是2-6Å的间隔基，i和j各自独立地为0或1； 其中，在化合物中分离与L2结合的Ar1原子到与L1结合的Ar2原子之间的共价键的最小数量至少为6，其中每个键的键长为1.2到2.0 Å；和/或在空间中，在与L2结合的Ar1原子和与L1结合的Ar2原子之间的距离为4.5-24 Å； 但化合物中由Ar2—Z所代表的部分不是2，其中： 表示单键或双键； n为0-3； 一个Z2是CA或CRA，另一个是CR、CR2、NR或N； A是—Wi—COXjY，其中Y是COR或其同分异构体，W和X各自是2-6Å的间隔基，i和j各自独立地为0或1； Z3是NR或O； 每个R独立地是氢或不干扰的取代基。
• Medicament for treatment of liver cancer
  申请人：Zender Lars

  公开号：US10441577B2

  公开（公告）日：2019-10-15

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.

  本发明提供了一种药物组合物，该组合物由索拉非尼与一种特异性激酶抑制剂组合而成，作为治疗或预防肝癌的药物。
• PIPERIDINE/PIPERAZINE-TYPE INHIBITORS OF P38 KINASE
  申请人：Scios Inc.

  公开号：EP1353905A2

  公开（公告）日：2003-10-22
• MEDICAMENT FOR TREATMENT OF LIVER CANCER
  申请人：Zender Lars

  公开号：US20150079154A1

  公开（公告）日：2015-03-19

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.
• US6696443B2
  申请人：——

  公开号：US6696443B2

  公开（公告）日：2004-02-24