methyl (2S)-2-[[(2R)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]amino]-2-phenylacetate | 1174681-33-4

• 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-[[(2R)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]amino]-2-phenylacetate
• CAS: 1174681-33-4
• 化学式: C₁₉H₂₁NO₆
• 分子量: 359.379
• InChiKey: LXRPWIFRLPCKRX-WBVHZDCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2R)-3-(3-methoxy-4-hydroxyphenyl)-2-hydroxypropanoic acid 、 甲基2-(苯基氨基)乙酸酯 在 N-甲基吗啉 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl (2S)-2-[[(2R)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]amino]-2-phenylacetate
  参考文献：
  名称：

  Matrix Metalloproteinase-2 Inhibitors from Clinopodium chinense var. parviflorum

  摘要：

  From the aerial parts of Clinopodium chinense var. parviflorum, nine new phenylpropanoids, clinopodic acids A-1 (2-10), were isolated together with a known phenylpropanoid, rosmarinic acid (1). The structures of these new compounds were elucidated on the basis of spectroscopic analysis. Clinopodic acid C (4) showed NIMP-2 inhibitory activity (IC50 3.26 mu M).

  DOI：

  10.1021/np800781t

文献信息

• Matrix Metalloproteinase-2 Inhibitors from <i>Clinopodium chinense</i> var. <i>parviflorum</i>
  作者：Toshihiro Murata、Kenroh Sasaki、Kumiko Sato、Fumihiko Yoshizaki、Haruna Yamada、Hiromichi Mutoh、Kaoru Umehara、Toshio Miyase、Tsutomu Warashina、Hiroaki Aoshima、Homare Tabata、Kouichi Matsubara

  DOI：10.1021/np800781t

  日期：2009.8.28

  From the aerial parts of Clinopodium chinense var. parviflorum, nine new phenylpropanoids, clinopodic acids A-1 (2-10), were isolated together with a known phenylpropanoid, rosmarinic acid (1). The structures of these new compounds were elucidated on the basis of spectroscopic analysis. Clinopodic acid C (4) showed NIMP-2 inhibitory activity (IC50 3.26 mu M).