N-(2-{6-[2-(7-dimethylamino-2-oxo-2H-chromen-4-yl)acetylamino]hexylcarbamoyl}ethyl)-2,4-dihydroxy-3,3-dimethylbutyramide | 864239-41-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: N-(2-{6-[2-(7-dimethylamino-2-oxo-2H-chromen-4-yl)acetylamino]hexylcarbamoyl}ethyl)-2,4-dihydroxy-3,3-dimethylbutyramide
• 英文别名: (2R)-N-[3-[6-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]hexylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
• CAS: 864239-41-8
• 化学式: C₂₈H₄₂N₄O₇
• 分子量: 546.664
• InChiKey: SRQUCDNDWHVYPK-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  157
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  D-泛酸 在 盐酸 、 D(+)-10-樟脑磺酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 生成 N-(2-{6-[2-(7-dimethylamino-2-oxo-2H-chromen-4-yl)acetylamino]hexylcarbamoyl}ethyl)-2,4-dihydroxy-3,3-dimethylbutyramide
  参考文献：
  名称：

  In Vivo Reporter Labeling of Proteins via Metabolic Delivery of Coenzyme A Analogues

  摘要：

  We demonstrate site-specific reporter labeling of proteins within live cells. By accessing the coenzyme A (CoA) metabolic pathway with a cell-permeable pantetheine analogue, we deliver CoA-bound reporter molecules for post-translational protein modification in vivo. These methods may be applied to natural product pathway manipulation as well as applications in conventional molecular and cellular biology.

  DOI：

  10.1021/ja052911k

文献信息

• In Vivo Reporter Labeling of Proteins via Metabolic Delivery of Coenzyme A Analogues
  作者：Kristine M. Clarke、Andrew C. Mercer、James J. La Clair、Michael D. Burkart

  DOI：10.1021/ja052911k

  日期：2005.8.1

  We demonstrate site-specific reporter labeling of proteins within live cells. By accessing the coenzyme A (CoA) metabolic pathway with a cell-permeable pantetheine analogue, we deliver CoA-bound reporter molecules for post-translational protein modification in vivo. These methods may be applied to natural product pathway manipulation as well as applications in conventional molecular and cellular biology.