2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-6-fluoro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid | 675133-59-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-6-fluoro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid
• 英文别名: 2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-6-fluorophenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
• CAS: 675133-59-2
• 化学式: C₂₈H₂₄FN₃O₁₄
• 分子量: 645.509
• InChiKey: GSGPTMASGFYQIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  46
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  251
• 氢给体数：
  5
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-6-fluoro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid 在 盐酸 作用下， 生成
  参考文献：
  名称：

  New ratiometric fluorescent calcium indicators with moderately attenuated binding affinities

  摘要：

  Mono-halogenated derivatives of the calcium indicators fura-2 and indo-1 were synthesized and their spectroscopic properties evaluated. Halogenation ortho or para to the bridging oxygen in the BAPTA nucleus had a more pronounced weakening effect on binding affinity than in the meta position in the fura derivatives. Two new excitation ratioable fluorescent calcium indicators, benzothiaza-1 and 2, were also synthesized. K-d values of 400 nM to 5.3 mu M [Ca2+] were observed in these families of new probes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00280-8
• 作为产物：
  描述：

  [(5-Benzyloxy-2-{2-[2-(bis-methoxycarbonylmethyl-amino)-6-fluoro-phenoxy]-ethoxy}-phenyl)-methoxycarbonylmethyl-amino]-acetic acid methyl ester 在 platinum on activated charcoal 氢氧化钾 、 氢气 、 potassium carbonate 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-6-fluoro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid
  参考文献：
  名称：

  New ratiometric fluorescent calcium indicators with moderately attenuated binding affinities

  摘要：

  Mono-halogenated derivatives of the calcium indicators fura-2 and indo-1 were synthesized and their spectroscopic properties evaluated. Halogenation ortho or para to the bridging oxygen in the BAPTA nucleus had a more pronounced weakening effect on binding affinity than in the meta position in the fura derivatives. Two new excitation ratioable fluorescent calcium indicators, benzothiaza-1 and 2, were also synthesized. K-d values of 400 nM to 5.3 mu M [Ca2+] were observed in these families of new probes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00280-8

文献信息

• New ratiometric fluorescent calcium indicators with moderately attenuated binding affinities
  作者：Kyle R. Gee、Eric A. Archer、Laura A. Lapham、Mary E. Leonard、Zhang-Lin Zhou、John Bingham、Zhenjun Diwu

  DOI：10.1016/s0960-894x(00)00280-8

  日期：2000.7

  Mono-halogenated derivatives of the calcium indicators fura-2 and indo-1 were synthesized and their spectroscopic properties evaluated. Halogenation ortho or para to the bridging oxygen in the BAPTA nucleus had a more pronounced weakening effect on binding affinity than in the meta position in the fura derivatives. Two new excitation ratioable fluorescent calcium indicators, benzothiaza-1 and 2, were also synthesized. K-d values of 400 nM to 5.3 mu M [Ca2+] were observed in these families of new probes. (C) 2000 Elsevier Science Ltd. All rights reserved.