(R)-2-(4-{4-[6-(methoxyimino-methyl)-naphthalen-2-ylethynyl]-phenyl}-piperazine-1-sulfonylamino)-propionic acid | 948902-32-7

• 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: (R)-2-(4-{4-[6-(methoxyimino-methyl)-naphthalen-2-ylethynyl]-phenyl}-piperazine-1-sulfonylamino)-propionic acid
• 英文别名: (2R)-2-[[4-[4-[2-[6-(methoxyiminomethyl)naphthalen-2-yl]ethynyl]phenyl]piperazin-1-yl]sulfonylamino]propanoic acid
• CAS: 948902-32-7
• 化学式: C₂₇H₂₈N₄O₅S
• 分子量: 520.609
• InChiKey: VMZYTHBBPNXXCM-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  9

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.