(S)-2-(4-{4-[(E)-2-(6-methoxymethoxy-naphthalen-2-yl)-vinyl]-phenyl}-piperazine-1-sulfonylamino)-pentanoic acid | 948902-17-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (S)-2-(4-{4-[(E)-2-(6-methoxymethoxy-naphthalen-2-yl)-vinyl]-phenyl}-piperazine-1-sulfonylamino)-pentanoic acid
• 英文别名: (2S)-2-[[4-[4-[(E)-2-[6-(methoxymethoxy)naphthalen-2-yl]ethenyl]phenyl]piperazin-1-yl]sulfonylamino]pentanoic acid
• CAS: 948902-17-8
• 化学式: C₂₉H₃₅N₃O₆S
• 分子量: 553.679
• InChiKey: KGVPBXRXRCAMBK-GFPUREGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• 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。
• 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.