[(5-Benzyloxy-2-ethoxycarbonylmethoxy-phenyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester | 827307-75-5

• 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: [(5-Benzyloxy-2-ethoxycarbonylmethoxy-phenyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester
• 英文别名: ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-N-(2-ethoxy-2-oxoethyl)-5-phenylmethoxyanilino]acetate
• CAS: 827307-75-5
• 化学式: C₂₅H₃₁NO₈
• 分子量: 473.523
• InChiKey: PICNYHJZPJARMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [(5-Benzyloxy-2-ethoxycarbonylmethoxy-phenyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester 在 palladium on activated charcoal 氢氧化钾 、 氢气 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 三氯氧磷 作用下， 以 吡啶 、 乙醇 、 氯仿 、 水 、 溶剂黄146 为溶剂， 反应 127.0h， 生成
  参考文献：
  名称：

  A new fluorescent metal sensor with two binding moieties

  摘要：

  A new fluorescent chelator Oxa, having two metal-binding sites, was designed and synthesized in six steps. Oxa exhibited two distinctive dissociation constants for Zn2+ (K-d(1) = 1.50 muM and K-d(2) = 140 muM), with considerable fluorescence increase in aqueous buffer at pH 7.2. Affinities of Oxa for the other biologically important ions such as Ca (Kd' = 250 VM and Kd 275 mM) and (K-d(1) - 975 muM and K-d(2) could not be determined) in the same conditions were also obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.115
• 作为产物：
  描述：

  2-氨基-4-苄氧基-苯酚 、 溴乙酸乙酯 在 N,N-二异丙基乙胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 15.0h， 生成 [(5-Benzyloxy-2-ethoxycarbonylmethoxy-phenyl)-ethoxycarbonylmethyl-amino]-acetic acid ethyl ester
  参考文献：
  名称：

  A new fluorescent metal sensor with two binding moieties

  摘要：

  A new fluorescent chelator Oxa, having two metal-binding sites, was designed and synthesized in six steps. Oxa exhibited two distinctive dissociation constants for Zn2+ (K-d(1) = 1.50 muM and K-d(2) = 140 muM), with considerable fluorescence increase in aqueous buffer at pH 7.2. Affinities of Oxa for the other biologically important ions such as Ca (Kd' = 250 VM and Kd 275 mM) and (K-d(1) - 975 muM and K-d(2) could not be determined) in the same conditions were also obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.10.115

文献信息

• A new fluorescent metal sensor with two binding moieties
  作者：Asuka Ohshima、Atsuya Momotake、Tatsuo Arai

  DOI：10.1016/j.tetlet.2004.10.115

  日期：2004.12

  A new fluorescent chelator Oxa, having two metal-binding sites, was designed and synthesized in six steps. Oxa exhibited two distinctive dissociation constants for Zn2+ (K-d(1) = 1.50 muM and K-d(2) = 140 muM), with considerable fluorescence increase in aqueous buffer at pH 7.2. Affinities of Oxa for the other biologically important ions such as Ca (Kd' = 250 VM and Kd 275 mM) and (K-d(1) - 975 muM and K-d(2) could not be determined) in the same conditions were also obtained. (C) 2004 Elsevier Ltd. All rights reserved.