methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-phenylmethoxyphenoxy]ethoxy]-4-fluoro-N-(2-methoxy-2-oxoethyl)anilino]acetate | 299172-13-7

• 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: methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-phenylmethoxyphenoxy]ethoxy]-4-fluoro-N-(2-methoxy-2-oxoethyl)anilino]acetate
• CAS: 299172-13-7
• 化学式: C₃₃H₃₇FN₂O₁₁
• 分子量: 656.662
• InChiKey: ACLCFQCWUDGIPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  47
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-phenylmethoxyphenoxy]ethoxy]-4-fluoro-N-(2-methoxy-2-oxoethyl)anilino]acetate 在 platinum on activated charcoal 盐酸 、 氢氧化钾 、 氢气 、 potassium carbonate 、 N,N-二异丙基乙胺 、 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 Acetyloxymethyl 2-[6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-[2-[2-[bis(acetyloxymethyl)amino]-5-fluorophenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate
  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-氟-2-硝基苯酚 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-4-phenylmethoxyphenoxy]ethoxy]-4-fluoro-N-(2-methoxy-2-oxoethyl)anilino]acetate
  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.