2-[2-[(1-Methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid | 1427727-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[2-[(1-Methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
• 英文别名: 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
• CAS: 1427727-63-6
• 化学式: C₂₀H₁₇N₃O₂S
• 分子量: 363.44
• InChiKey: SVGVQUXKUFFTGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  642.2±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Ethyl 2-[2-[(1-methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate 在 甲醇 、 sodium hydroxide 作用下， 以76%的产率得到2-[2-[(1-Methylbenzimidazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
  参考文献：
  名称：

  A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors

  摘要：

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.121

文献信息

• A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors
  作者：Masakazu Atobe、Naomi Maekawara、Noriko Ishiguro、Shinya Sogame、Yoshihito Suenaga、Masashi Kawanishi、Hiroko Suzuki、Norimasa Jinno、Eiichi Tanaka、Shiro Miyoshi

  DOI：10.1016/j.bmcl.2013.01.121

  日期：2013.4

  A series of thiazole bearing thiazolidin-4-one was discovered via high-throughput screening as non-competitive inhibitors of ADAMTS-5. Compound 31 appeared to give the best ADAMTS-5 inhibition and good selectivity over other metalloproteases. (C) 2013 Elsevier Ltd. All rights reserved.