methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate | 879290-16-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate
• CAS: 879290-16-1
• 化学式: C₁₈H₂₀BrNO₄S₂
• 分子量: 458.397
• InChiKey: CIFSUMNWLPKUKW-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoate 、 2-萘硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 4.0h， 以59%的产率得到methyl (2S)-4-methylsulfanyl-2-[[4-(4-naphthalen-2-ylphenyl)phenyl]sulfonylamino]butanoate
  参考文献：
  名称：

  EP1787979

  摘要：

  公开号：

文献信息

• Sulfonamide Derivative Selectively Inhibiting Mmp-13
  申请人：Watanabe Fumihiko

  公开号：US20080119513A1

  公开（公告）日：2008-05-22

  It is considered that MMP-13 inhibitors contribute to the treatment or prevention against the diseases caused by or related to activity of MMP-13, especially osteoarthritis (OA). Therefore, the development of MMP-13 inhibitors has been desired. A compound represented by the general formula (I): wherein Z is 1,4-phenylene and the like; R 1 is hydroxy and the like; R 2 is hydrogen atom, optionally substituted lower alkyl, and the like; R 12 is hydrogen atom; or R 2 and R 12 taken together with the adjacent carbon atom may form a ring; R 3 is hydrogen atom, optionally substituted lower alkyl, and the like; R 4 is halogen, lower alkyl, and the like; m is 0, 1, or 2; X is a bond, —C≡C—, and the like; Y is optionally substituted phenyl, optionally substituted naphthyl, and the like, its optically active substance, their pharmaceutically acceptable salt, or a solvate thereof.
• EP1787979
  申请人：——

  公开号：——

  公开（公告）日：——