(2S,5R,6S)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (2S,5R,6S)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 化学式: C₁₆H₁₉N₃O₅S
• 分子量: 365.4
• InChiKey: LSQZJLSUYDQPKJ-YAMSLAJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  163
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide 、 (2S,5R,6S)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 生成 sodium;(2S,5R,6S)-6-[[(2R)-2-(4-hydroxyphenyl)-2-[[6-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]-1H-pyrimidin-5-yl]carbamoylamino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  参考文献：
  名称：

  WETZEL, B.;REUTER, W.;MAIER, R.;WOITUM, E.;LECHNER, U.;GOETH, H.

  摘要：

  DOI：

文献信息

• SASSIVER, M. L.;BOOTHE, J. H.
  作者：SASSIVER, M. L.、BOOTHE, J. H.

  DOI：——

  日期：——
• BORON-BASED PRODRUG STRATEGY FOR INCREASED BIOAVAILABILITY AND LOWER-DOSAGE REQUIREMENTS FOR DRUG MOLECULES CONTAINING AT LEAST ONE PHENOL (OR AROMATIC HYDROXYL) GROUP
  申请人：XAVIER UNIVERSITY OF LOUSIANA

  公开号：US20170137443A1

  公开（公告）日：2017-05-18

  Boron-based prodrugs of phenol- or aromatic hydroxyl group-containing therapeutic molecules (“original drugs”), uses thereof, and methods of making the same, are provided for achieving, for example, improved bioavailability, prolonged retention (e.g., in a circulatory system) and, in particular, significantly lowered therapeutically effective dosage in order to reduce adverse effects while maintaining the desired therapeutic effects of the original drugs.
• WETZEL, B.;REUTER, W.;MAIER, R.;WOITUM, E.;LECHNER, U.;GOETH, H.
  作者：WETZEL, B.、REUTER, W.、MAIER, R.、WOITUM, E.、LECHNER, U.、GOETH, H.

  DOI：——

  日期：——