(S)-2-{4-[4-(6-methoxy-naphthalen-2-ylethynyl)-phenyl]-piperazine-1-sulfonylamino}-pentanoic acid | 948901-69-7

• 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: (S)-2-{4-[4-(6-methoxy-naphthalen-2-ylethynyl)-phenyl]-piperazine-1-sulfonylamino}-pentanoic acid
• 英文别名: (2S)-2-[[4-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]phenyl]piperazin-1-yl]sulfonylamino]pentanoic acid
• CAS: 948901-69-7
• 化学式: C₂₈H₃₁N₃O₅S
• 分子量: 521.637
• InChiKey: RGOJIGCMLSYEBJ-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  methyl (2S)-2-[[4-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]phenyl]piperazin-1-yl]sulfonylamino]pentanoate 在 sodium hydroxide 、 水 、 柠檬酸 作用下， 以 二甲基亚砜 、 水 为溶剂， 反应 14.0h， 以90%的产率得到(S)-2-{4-[4-(6-methoxy-naphthalen-2-ylethynyl)-phenyl]-piperazine-1-sulfonylamino}-pentanoic acid
  参考文献：
  名称：

  MMP-13-SELECTIVE INHIBITOR

  摘要：

  由于人们认为如果MMP-13的活性可以被抑制，这将在改善或预防病理状态的进展方面起到很大作用，特别是由于或与MMP-13活性相关的骨关节炎（OA），因此预期会开发MMP-13抑制剂。 提供了一个由通式（I）表示的化合物： 其中R1是可选择取代的芳基等。Z是可取代的C1-C5烷基，可以被取代并且可以被来自取代基团a等的取代基中断；A是式： （R6和R7各自独立地是卤素，较低烷基等；m和n各自独立地是0、1或2）；R2是氢原子，可选择取代的较低烷基等；R3是氢原子，可选择取代的较低烷基等；R4是氢原子；或R3和R4可以与相邻的碳原子一起形成环；R5是羟基，较低烷氧基等），或其光学活性异构体、药学上可接受的盐或其溶剂化合物，以及含有其作为活性成分的具有MMP-13抑制活性的药物组合物。

  公开号：

  EP1997804A1

文献信息

• MMP-13 SELECTIVE INHIBITOR
  申请人：Hayashi Mikayo

  公开号：US20090069304A1

  公开（公告）日：2009-03-12

  Since it is thought that if the activity of MMP-13 can be inhibited, this will largely contribute to improvement or prevention of progession of pathological states, particularly, osteoarthritis (OA), resulting from or associated with the MMP-13 activity, the development of MMP-13 inhibitors is anticipated. There are provided a compound represented by the general formula (I): wherein R 1 is optionally substituted aryl etc.; Z is C1-C5 alkylene which may be substituted and may be interrupted with a substituent selected from Substituent group a etc.; A is the formula: (R 6 and R 7 are each independently halogen, lower alkyl etc.; m and n are each independently 0, 1, or 2); R 2 is a hydrogen atom, optionally substituted lower alkyl etc.; R 3 is a hydrogen atom, optionally substituted lower alkyl etc.; R 4 is a hydrogen atom; or R 3 and R 4 may be taken together with an adjacent carbon atom to from a ring; R 5 is hydroxy, lower alkyloxy etc.), or an optically active isomer, a pharmaceutically acceptable salt or a solvate thereof, and a pharmaceutical composition containing it as an active ingredient, which has the MMP-13 inhibiting activity.
• MMP-13-SELECTIVE INHIBITOR
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1997804A1

  公开（公告）日：2008-12-03

  Since it is thought that if the activity of MMP-13 can be inhibited, this will largely contribute to improvement or prevention of progession of pathological states, particularly, osteoarthritis (OA), resulting from or associated with the MMP-13 activity, the development of MMP-13 inhibitors is anticipated. There are provided a compound represented by the general formula (I): wherein R1 is optionally substituted aryl etc. Z is C1-C5 alkylene which may be substituted and may be interrupted with a substituent selected from Substituent group a etc.; A is the formula: (R6 and R7 are each independently halogen, lower alkyl etc.; m and n are each independently 0, 1, or 2); R2 is a hydrogen atom, optionally substituted lower alkyl etc.; R3 is a hydrogen atom, optionally substituted lower alkyl etc.; R4 is a hydrogen atom; or R3 and R4 may be taken together with an adjacent carbon atom to from a ring; R5 is hydroxy, lower alkyloxy etc.), or an optically active isomer, a pharmaceutically acceptable salt or a solvate thereof, and a pharmaceutical composition containing it as an active ingredient, which has the MMP-13 inhibiting activity.

  由于人们认为如果MMP-13的活性可以被抑制，这将在改善或预防病理状态的进展方面起到很大作用，特别是由于或与MMP-13活性相关的骨关节炎（OA），因此预期会开发MMP-13抑制剂。 提供了一个由通式（I）表示的化合物： 其中R1是可选择取代的芳基等。Z是可取代的C1-C5烷基，可以被取代并且可以被来自取代基团a等的取代基中断；A是式： （R6和R7各自独立地是卤素，较低烷基等；m和n各自独立地是0、1或2）；R2是氢原子，可选择取代的较低烷基等；R3是氢原子，可选择取代的较低烷基等；R4是氢原子；或R3和R4可以与相邻的碳原子一起形成环；R5是羟基，较低烷氧基等），或其光学活性异构体、药学上可接受的盐或其溶剂化合物，以及含有其作为活性成分的具有MMP-13抑制活性的药物组合物。