| 1096058-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1096058-76-2
• 化学式: C₄₀H₄₁N₃O₇
• 分子量: 675.781
• InChiKey: LGZKPORJIZTSMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.44
• 重原子数：
  50.0
• 可旋转键数：
  7.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  115.43
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 还原型辅酶II(NADPH)四钠盐 、 magnesium chloride 作用下， 生成 2-(3-iminio-6-(morpholine-4-carboxamido)-3H-xanthen-9-yl)benzoate 、 4,4,5,7-tetramethyl-3,4-dihydrocoumarin
  参考文献：
  名称：

  A highly sensitive fluorogenic probe for cytochrome P450 activity in live cells

  摘要：

  A derivative of rhodamine 110 has been designed and assessed as a probe for cytochrome P450 activity. This probe is the first to utilize a 'trimethyl lock' that is triggered by cleavage of an ether bond. In vitro, fluorescence was manifested by the CYP1A1 isozyme with k(cat)/K-M = 8.8 x 10(3) M (1) s (1) and K-M = 0.09 mu M. In cellulo, the probe revealed the induction of cytochrome P450 activity by the carcinogen 2,3,7,8-tetrachlorodibenzo-p- dioxin, and its repression by the chemoprotectant resveratrol. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.015
• 作为产物：
  描述：

  2-(3-iminio-6-(morpholine-4-carboxamido)-3H-xanthen-9-yl)benzoate 、 3-(2-ethoxy-4,6-dimethylphenyl)-3-methylbutanoic acid 在 吡啶 、 1,2-二氯乙烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 49.0h， 以26%的产率得到
  参考文献：
  名称：

  A highly sensitive fluorogenic probe for cytochrome P450 activity in live cells

  摘要：

  A derivative of rhodamine 110 has been designed and assessed as a probe for cytochrome P450 activity. This probe is the first to utilize a 'trimethyl lock' that is triggered by cleavage of an ether bond. In vitro, fluorescence was manifested by the CYP1A1 isozyme with k(cat)/K-M = 8.8 x 10(3) M (1) s (1) and K-M = 0.09 mu M. In cellulo, the probe revealed the induction of cytochrome P450 activity by the carcinogen 2,3,7,8-tetrachlorodibenzo-p- dioxin, and its repression by the chemoprotectant resveratrol. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.015

文献信息

• A highly sensitive fluorogenic probe for cytochrome P450 activity in live cells
  作者：Melissa M. Yatzeck、Luke D. Lavis、Tzu-Yuan Chao、Sunil S. Chandran、Ronald T. Raines

  DOI：10.1016/j.bmcl.2008.06.015

  日期：2008.11

  A derivative of rhodamine 110 has been designed and assessed as a probe for cytochrome P450 activity. This probe is the first to utilize a 'trimethyl lock' that is triggered by cleavage of an ether bond. In vitro, fluorescence was manifested by the CYP1A1 isozyme with k(cat)/K-M = 8.8 x 10(3) M (1) s (1) and K-M = 0.09 mu M. In cellulo, the probe revealed the induction of cytochrome P450 activity by the carcinogen 2,3,7,8-tetrachlorodibenzo-p- dioxin, and its repression by the chemoprotectant resveratrol. (C) 2008 Elsevier Ltd. All rights reserved.