(4-bromophenyl)-4-[5-(dimethylamino)naphthalene-1-sulfonamido]butanoic acid | 1073343-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-bromophenyl)-4-[5-(dimethylamino)naphthalene-1-sulfonamido]butanoic acid
• 英文别名: 3-(4-Bromophenyl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoic acid
• CAS: 1073343-67-5
• 化学式: C₂₂H₂₃BrN₂O₄S
• 分子量: 491.406
• InChiKey: BQZACGPQNROMNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-amino-3-(4-bromophenyl)butanoic acid hydrochloride 、 丹酰氯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以84%的产率得到(4-bromophenyl)-4-[5-(dimethylamino)naphthalene-1-sulfonamido]butanoic acid
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of a dansyled amino acid derivative as an imaging agent for apoptosis

  摘要：

  To develop a small molecule-based biomarker for in vivo apoptosis imaging, a dansyled amino acid derivative (BNSBA) was designed and synthesized in good yield. The biological evaluation demonstrated that BNSBA selectively binds to apoptotic cancer cells and is localized within the cytoplasm of cells that bound annexin V on the plasma membrane. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.08.091

文献信息

• Design, synthesis, and biological evaluation of a dansyled amino acid derivative as an imaging agent for apoptosis
  作者：Wenbin Zeng、Weimin Miao、George Kabalka、Michael Le Puil、John Biggerstaff、David Townsend

  DOI：10.1016/j.tetlet.2008.08.091

  日期：2008.11

  To develop a small molecule-based biomarker for in vivo apoptosis imaging, a dansyled amino acid derivative (BNSBA) was designed and synthesized in good yield. The biological evaluation demonstrated that BNSBA selectively binds to apoptotic cancer cells and is localized within the cytoplasm of cells that bound annexin V on the plasma membrane. (C) 2008 Elsevier Ltd. All rights reserved.