N,N'-Boc-Hph-rhodamine 110 | 1140465-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N,N'-Boc-Hph-rhodamine 110
• CAS: 1140465-77-5
• 化学式: C₅₀H₅₂N₄O₉
• 分子量: 852.984
• InChiKey: SZGDHZDTEXJSBD-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.18
• 重原子数：
  63.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  170.39
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N,N'-Boc-Hph-rhodamine 110 、 三氟乙酸 以 1,1-二氯乙烷 、 水 为溶剂， 反应 2.0h， 生成 N,N'-NH2-Hph-rhodamine 110 trifluoroacetate
  参考文献：
  名称：

  Substrate optimization for monitoring cathepsin C activity in live cells

  摘要：

  A series of peptidic fluorogenic substrates were synthesized to develop a flow cytometry assay (FACS) to monitor the proteolytic activity of cathepsin C in live cells. Of the 16 substrates tested, (NH2-aminobutyric-homophenylalanine)(2)-rhodamine demonstrated the best reactivity and selectivity profile in the FACS assay using the B721 human B-lymphoblastoid cell line. The resulting FACS assay was validated through correlation of the IC50 values with a competitive radiolabeling assay against a series of small molecule inhibitors of cathepsin C. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.002
• 作为产物：
  描述：

  Boc-L-高苯丙氨酸 、 3',6'-diamino-spiro[phthalan-1,9'-xanthen]-3-one 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 N,N'-Boc-Hph-rhodamine 110
  参考文献：
  名称：

  Substrate optimization for monitoring cathepsin C activity in live cells

  摘要：

  A series of peptidic fluorogenic substrates were synthesized to develop a flow cytometry assay (FACS) to monitor the proteolytic activity of cathepsin C in live cells. Of the 16 substrates tested, (NH2-aminobutyric-homophenylalanine)(2)-rhodamine demonstrated the best reactivity and selectivity profile in the FACS assay using the B721 human B-lymphoblastoid cell line. The resulting FACS assay was validated through correlation of the IC50 values with a competitive radiolabeling assay against a series of small molecule inhibitors of cathepsin C. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.002