3-bromopropyl-N,N-bis(carboxymethyl)amine

• 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: 3-bromopropyl-N,N-bis(carboxymethyl)amine
• 英文别名: 2-[3-Bromopropyl(carboxymethyl)amino]acetic acid
• 化学式: C₇H₁₂BrNO₄
• 分子量: 254.081
• InChiKey: ZRNNOBJKYYTQTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-bromopropyl-N,N-bis(carboxymethyl)amine 、 (3,3-dihydroxymethyl-2-methyl-3-H-indol-5-yl)-acetic acid 、 glutaconaldehyde dianilide monohydrochloride 生成 bis(ethylcarboxymethyldihydroxyl)indocyanine dye
  参考文献：
  名称：

  Tumor-targeted optical contrast agents

  摘要：

  揭示了用于诊断成像和治疗的青菁染料生物共轭物。这些共轭物包括几种青菁染料，具有各种双和四(羧酸)同系物。这些化合物可以与生物活性肽、碳水化合物、激素、药物或其他生物活性剂结合。与分子量较大的成像试剂相比，这些化合物的小尺寸使其更有利于输送到肿瘤细胞。各种染料在350到1300纳米范围内是有用的，确切范围取决于特定的染料。二甲基亚砜的使用有助于保持化合物的荧光。这些创新的化合物在诊断成像和治疗中很有用，用于内窥镜应用以检测肿瘤和其他异常，用于局部治疗，用于光声肿瘤成像、检测和治疗，以及用于声荧光肿瘤成像、检测和治疗。

  公开号：

  US20040141920A1

文献信息

• Receptor-avid exogenous optical contrast and therapeutic agents
  申请人：Achilefu I. Samuel

  公开号：US20050281741A1

  公开（公告）日：2005-12-22

  Cyanine and Indocyanine dye compounds and bioconjugates are disclosed. The present invention includes several cyanine and indocyanine dyes, including bioconjugates of the same, with a variety of bis- and tetrakis (carboxylic acid) homologues. The compounds of the invention may be conjugated to bioactive peptides, carbohydrates, hormones, drugs, or other bioactive agents. The small size of compounds of the invention allows favorable delivery to tumor cells as compared to larger molecular weight imaging agents. Further, use of a biocompatible organic solvent such as dimethylsulfoxide may be said to assist in maintaining the fluorescence of compounds of the invention. The compounds and bioconjugates herein disclosed are useful in a variety of medical applications including, but not limited to, diagnostic imaging and therapy, endoscopic applications for the detection of tumors and other abnormalities, localized therapy, photoacoustic tumor imaging, detection and therapy, and sonofluorescence tumor imaging, detection and therapy.

  本发明涉及靛青和吲哚青染料化合物及其生物共轭物。本发明包括多种靛青和吲哚青染料，包括其生物共轭物，具有多种双和四羧酸同系物。本发明的化合物可与生物活性肽、碳水化合物、激素、药物或其他生物活性剂相结合。与分子量较大的成像剂相比，本发明的化合物大小较小，有利于向肿瘤细胞传递。此外，使用生物相容性有机溶剂如二甲基亚砜可以帮助维持本发明的化合物的荧光。本发明所披露的化合物和生物共轭物在多种医疗应用中有用，包括但不限于诊断成像和治疗、用于检测肿瘤和其他异常的内窥镜应用、局部治疗、光声肿瘤成像、检测和治疗，以及声致荧光肿瘤成像、检测和治疗。
• Optical diagnostic and therapeutic agents and compositions
  申请人：Achilefu I. Samuel

  公开号：US20050271592A1

  公开（公告）日：2005-12-08

  Cyanine and indocyanine dye compounds and bioconjugates are disclosed. The present invention includes several cyanine and indocyanine dyes, including bioconjugates of the same, with a variety of bis- and tetrakis (carboxylic acid) homologues. The compounds of the invention may be conjugated to bioactive peptides, carbohydrates, hormones, drugs, or other bioactive agents. The small size of compounds of the invention allows favorable delivery to tumor cells as compared to larger molecular weight imaging agents. Further, use of a biocompatible organic solvent such as dimethylsulfoxide may be said to assist in maintaining the fluorescence of compounds of the invention. The compounds and bioconjugates herein disclosed are useful in a variety of medical applications including, but not limited to, diagnostic imaging and therapy, endoscopic applications for the detection of tumors and other abnormalities, localized therapy, photoacoustic tumor imaging, detection and therapy, and sonofluorescence tumor imaging, detection and therapy.

  本发明涉及青光菁和吲哚青光菁染料化合物以及生物共轭物。本发明包括多种青光菁和吲哚青光菁染料，包括其生物共轭物，具有多种双和四(羧酸)同系物。本发明的化合物可以与生物活性肽、碳水化合物、激素、药物或其他生物活性剂相结合。与较大分子量的成像剂相比，本发明的化合物的小尺寸有利于将其有利地输送到肿瘤细胞。此外，使用生物相容性有机溶剂如二甲基亚砜有助于维持本发明化合物的荧光。本文所述的化合物和生物共轭物在各种医疗应用中有用，包括但不限于诊断成像和治疗、内窥镜应用用于检测肿瘤和其他异常、局部治疗、光声肿瘤成像、检测和治疗，以及超声荧光肿瘤成像、检测和治疗。
• Versatile hydrophilic dyes
  申请人：Achilefu I. Samuel

  公开号：US20050201939A1

  公开（公告）日：2005-09-15

  Dye-peptide conjugates useful for diagnostic imaging and therapy are disclosed. The dye-peptide conjugates include several cyanine dyes with a variety of bis- and tetrakis(carboxylic acid) homologues. The small size of the compounds allows more favorable delivery to tumor cells as compared to larger molecular weight imaging agents. The various dyes are useful over the range of 350-1300 nm, the exact range being dependent upon the particular dye. Use of dimethylsulfoxide helps to maintain the fluorescence of the compounds. The molecules of the invention are useful for diagnostic imaging and therapy, in endoscopic applications for the detection of tumors and other abnormalities and for localized therapy, for photoacoustic tumor imaging, detection and therapy, and for sonofluorescence tumor imaging, detection and therapy.

  本文披露了用于诊断成像和治疗的染料-肽共轭物。染料-肽共轭物包括几种青烷染料，具有各种双和四羧酸同系物。这些化合物的小尺寸使其与分子量较大的成像剂相比，更有利于向肿瘤细胞传递。各种染料在350-1300纳米范围内有用，具体范围取决于特定的染料。使用二甲基亚砜有助于维持化合物的荧光。本发明的分子适用于诊断成像和治疗，用于内窥镜应用以检测肿瘤和其他异常，以及用于局部治疗，用于光声肿瘤成像、检测和治疗，以及用于超声荧光肿瘤成像、检测和治疗。
• Hydrophilic cyanine dyes
  申请人：Mallinckrodt Inc.

  公开号：US20030143159A1

  公开（公告）日：2003-07-31

  Cyanine dye bioconjugates useful for diagnostic imaging and therapy are disclosed. The conjugates include several cyanine dyes with a variety of bis- and tetrakis (carboxylic acid) homologues. The compounds may be conjugated to bioactive peptides, carbohydrates, hormones, drugs, or other bioactive agents. The small size of the compounds allows more favorable delivery to tumor cells as compared to larger molecular weight imaging agents. The various dyes are useful over the range of 350-1300 nm, the exact range being dependent upon the particular dye. Use of dimethylsulfoxide helps to maintain the fluorescence of the compounds. The inventive compounds are useful for diagnostic imaging and therapy, in endoscopic applications for the detection of tumors and other abnormalities, for localized therapy, for photoacoustic tumor imaging, detection and therapy, and for sonofluorescence tumor imaging, detection and therapy.

  本文介绍了一种用于诊断成像和治疗的青光菌素染料生物共轭物。这些共轭物包括多种青光菌素染料，其中包括各种双-和四-（羧酸）同系物。这些化合物可以与生物活性肽、碳水化合物、激素、药物或其他生物活性剂相结合。与分子量较大的成像剂相比，这些化合物的小尺寸使得它们更有利于向肿瘤细胞输送。各种染料在350-1300纳米范围内都有用，具体范围取决于特定的染料。使用二甲基亚砜有助于维持化合物的荧光。这些创新性的化合物可用于诊断成像和治疗，在内窥镜应用中用于检测肿瘤和其他异常，用于局部治疗，用于光声肿瘤成像、检测和治疗，以及用于声荧光肿瘤成像、检测和治疗。
• Diagnostic and therapeutic optical agents
  申请人：Achilefu Samuel I.

  公开号：US20080233050A1

  公开（公告）日：2008-09-25

  Disclosed herein are compounds that may be characterized by some as cyanine and indocyanine dye bioconjugates. Compounds disclosed herein may be utilized (e.g., in the form of a pharmaceutically acceptable composition) in a number of medical procedures, such as in the visualization and detection of tumors.

  本文所披露的化合物可能被一些人认为是青烯和吲哚青烯染料的生物共轭物。本文所披露的化合物可以利用（例如以药学上可接受的组合物的形式）在许多医疗程序中使用，例如在肿瘤的可视化和检测中。