4-{4-[3-(6-amino-5-chloro-2-methoxypyridin-3-yl)-3-oxopropyl]piperidin-1-yl}-2,2-dimethylpentan-3-one | 557106-77-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{4-[3-(6-amino-5-chloro-2-methoxypyridin-3-yl)-3-oxopropyl]piperidin-1-yl}-2,2-dimethylpentan-3-one
• 英文别名: 4-[4-[3-(6-amino-5-chloro-2-methoxypyridin-3-yl)-3-oxopropyl]piperidin-1-yl]-2,2-dimethylpentan-3-one
• CAS: 557106-77-1
• 化学式: C₂₁H₃₂ClN₃O₃
• 分子量: 409.956
• InChiKey: LDGJCKPRTJXXJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  85.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-{4-[3-(6-amino-5-chloro-2-methoxypyridin-3-yl)-3-oxopropyl]piperidin-1-yl}-2,2-dimethylpentan-3-one 、 富马酸 、 甲醇 在 6-Amino-5-chloro-3-{3-[1-(1,3,3-trimethyl-2-oxobutyl-2-oxobutyl)piperidine-4-yl]propanoyl}pyridin-2(1H)-one 、 乙醇乙醚 作用下， 生成 6-Amino-5-chloro-3-{3-[1-(1,3,3-trimethyl-2-oxobutyl-2-oxobutyl)piperidine-4-yl]propanoyl}pyridin-2(1H)-one
  参考文献：
  名称：

  Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators

  摘要：

  该发明提供了式（I）和（II）的化合物：或其药学上可接受的酯和药学上可接受的盐：其中R1是氢或卤素；R2和R3分别是氢或C1-6烷基；R4和R5分别是氢或C1-6烷基；R6是氢，C1-12烷基，C1-6烷氧基（C1-6）烷基或C1-12烷基，其被最多3个取自C3-8环烷基，芳基，杂芳基和杂环基的取代基所取代；R7和R8是氢或一起形成具有一个或两个碳原子的烷基链；R9是C1-6烷基或C3-8环烷基；R10是C1-6烷基或NR11R12；L是（CR11R12）n或NR11；M是NR11或（CR11R12）n；R11和R12分别是氢或C1-6烷基；n是从0到5的整数；m是从0到2的整数；所述的杂环，芳基和杂芳基未被取代或被至少一个取自卤素和C1-6烷基的取代基所取代；但是当R9是C1-6烷基时，L不是NR11。这些化合物具有5-HT4受体结合活性，因此对哺乳动物，特别是人类的治疗胃食管反流病，非溃疡性消化不良，肠易激综合症等方面是有用的。该发明还提供了包含上述化合物的制药组合物。

  公开号：

  US06979690B2

文献信息

• US6979690B2
  申请人：——

  公开号：US6979690B2

  公开（公告）日：2005-12-27
• [EN] OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS<br/>[FR] COMPOSES OXO OU OXY-PYRIDINE UTILISES COMME MODULATEURS DU RECEPTEUR 5-HT4
  申请人：PFIZER PHARMA

  公开号：WO2003057688A2

  公开（公告）日：2003-07-17

  This invention provides compounds of the formula (I) and (II) or the phannaceutically acceptable esters thereof, and the pharmaceutically acceptable salts thereof: wherein R1 is hydrogen or halo; R?2 and R3¿ are independently hydrogen or C¿1-6? alkyl; R?4 and R5¿ are independently hydrogen or C¿1-6? alkyl; R?6¿ is hydrogen, C ¿l-12? alkyl, C 1-6 alkoxy (C1-6)alkyl or C1-12 alkyl substituted by up to 3 substituents selected from the groups consisting of C3-8 cycloalkyl, aryl, heteroaryl and heterocyclic; R?7 and R8¿ are hydrogen or taken together may form alkylene chain having one or two carbon atoms; R9 is C¿1-6? alkyl or C3-8 cycloalkyl; R?10¿ is C¿1-6? alkyl or NR?11R12¿; L is (CR11R12)n or NR11 ; M is NR?11 or (CR11R12)n ; R11 and R12¿ are independently hydrogen or C¿1-6? alkyl; n is an integer from 0 to 5; and. m is an integer from 0 to 2; said heterocyclic, aryl and heteroaryl are unsubstituted or are substituted by at least one substituent selected from the group consisting of halo and C1-6 alkyl; with the proviso that when R?9¿ is C¿1-6? alkyl, L is not NR?11¿. These compounds have 5-HT¿4? receptor binding activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans. This invention also provides a pharmaceutical composition comprising the above compound.