2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-5-chloro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid | 675133-62-7

• 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: 2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-5-chloro-phenoxy]-ethoxy}-benzofuran-2-yl)-oxazole-5-carboxylic acid
• 英文别名: 2-[6-[Bis(carboxymethyl)amino]-5-[2-[2-[bis(carboxymethyl)amino]-5-chlorophenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
• CAS: 675133-62-7
• 化学式: C₂₈H₂₄ClN₃O₁₄
• 分子量: 661.963
• InChiKey: RPZXQWRHPFVWBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 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：
  17

反应信息

• 作为反应物：
  描述：

  2-(6-(Bis-carboxymethyl-amino)-5-{2-[2-(bis-carboxymethyl-amino)-5-chloro-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)-5-chloro-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)-5-chloro-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

• SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US20160025713A1

  公开（公告）日：2016-01-28

  The present invention provides methods and fluorescent compounds that facilitate detecting and labeling of a fusion protein by being capable of selectively binding to an affinity tag. The fluorescent compounds have the general formula A(B)n, wherein A is a fluorophore, B is a binding domain that is a charged chemical moiety, a protein or fragment thereof and n is an integer from 1-6 with the proviso that the protein or fragment thereof not be an antibody or generated from an antibody. The present invention provides specific fluorescent compounds and methods used to detect and label fusion proteins that contain a poly-histidine affinity tag. These compounds have the general formula A(L)m(B)n wherein A is a fluorophore, L is a linker, B is an acetic acid binding domain, m is an integer from 1 to 4 and n is an integer from 1 to 6. The acetic acid groups interact directly with the positively charged histidine residues of the affinity tag to effectively label and detect a fusion protein containing such an affinity tag when present in an acidic or neutral environment.

  本发明提供了一种方法和荧光化合物，通过选择性地与亲和标签结合，从而促进融合蛋白的检测和标记。所述荧光化合物具有通式A(B)n，其中A是荧光团，B是带电化学基团、蛋白质或其片段的绑定域，n是1-6的整数，但该蛋白质或其片段不是抗体或由抗体产生的。本发明还提供了特定的荧光化合物和方法，用于检测和标记含有聚组氨酸亲和标签的融合蛋白。这些化合物具有通式A(L)m(B)n，其中A是荧光团，L是连接器，B是醋酸绑定域，m是1到4的整数，n是1到6的整数。醋酸基团直接与亲和标签中的正电荷组氨酸残基相互作用，有效地标记和检测含有此类亲和标签的融合蛋白，当其存在于酸性或中性环境中时。
• SITE-SPECIFIC LABELING OF AFFINITY PEPTIDES IN FUSION PROTEINS
  申请人：Gee Kyle Richard

  公开号：US20090004641A1

  公开（公告）日：2009-01-01

  The present invention provides methods and fluorescent compounds that facilitate detecting and labeling of a fusion protein by being capable of selectively binding to an affinity tag. The fluorescent compounds have the general formula A(B)n, wherein A is a fluorophore, B is a binding domain that is a charged chemical moiety, a protein or fragment thereof and n is an integer from 1-6 with the proviso that the protein or fragment thereof not be an antibody or generated from an antibody. The present invention provides specific fluorescent compounds and methods used to detect and label fusion proteins that contain a poly-histidine affinity tag. These compounds have the general formula A(L)m(B)n wherein A is a fluorophore, L is a linker, B is an acetic acid binding domain, m is an integer from 1 to 4 and n is an integer from 1 to 6. The acetic acid groups interact directly with the positively charged histidine residues of the affinity tag to effectively label and detect a fusion protein containing such an affinity tag when present in an acidic or neutral environment.
• Site-specific labeling of affinity tags in fusion proteins
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US20140038856A1

  公开（公告）日：2014-02-06

  The present invention provides methods and fluorescent compounds that facilitate detecting and labeling of a fusion protein by being capable of selectively binding to an affinity tag. The fluorescent compounds have the general formula A(B)n, wherein A is a fluorophore, B is a binding domain that is a charged chemical moiety, a protein or fragment thereof and n is an integer from 1-6 with the proviso that the protein or fragment thereof not be an antibody or generated from an antibody. The present invention provides specific fluorescent compounds and methods used to detect and label fusion proteins that contain a poly-histidine affinity tag. These compounds have the general formula A(L)m(B)n wherein A is a fluorophore, L is a linker, B is an acetic acid binding domain, m is an integer from 1 to 4 and n is an integer from 1 to 6. The acetic acid groups interact directly with the positively charged histidine residues of the affinity tag to effectively label and detect a fusion protein containing such an affinity tag when present in an acidic or neutral environment.
• US9164099B2
  申请人：——

  公开号：US9164099B2

  公开（公告）日：2015-10-20