2-[11,11-Bis(carboxymethyl)-1-oxa-2,3,4-triazacyclododec-12-yl]acetic acid

• 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-[11,11-Bis(carboxymethyl)-1-oxa-2,3,4-triazacyclododec-12-yl]acetic acid
• 英文别名: 2-[11,11-bis(carboxymethyl)-1-oxa-2,3,4-triazacyclododec-12-yl]acetic acid
• 化学式: C₁₄H₂₅N₃O₇
• 分子量: 347.36
• InChiKey: BNYODWFVDWTBTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.9
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• Methods of Synthesizing and Using Peg-Like Fluorochromes
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20150258217A1

  公开（公告）日：2015-09-17

  Fluorescent compounds include near infrared fluorochromes that are covalently linked to polyethylene glycol (PEG). The compounds behave like PEG in biological systems. One fluorescent compound has the formula (I): wherein R 1 is a fluorescent moiety having an absorption wavelength maxima in the range of 450 to 1500 nanometers, R 2 is a non-reactive moiety, and n is an integer. Another fluorescent compound has the formula (II): wherein R 1 is a fluorescent moiety having an absorption wavelength maxima in the range of 450 to 1500 nanometers, R 2 is a non-reactive moiety, R 3 is a scaffold including an amino acid group, and n is an integer. The scaffold can be attached to a chelate, protein, enzyme, peptide, antibody, or drug that can target a site in a subject.

  荧光化合物包括共价连接到聚乙二醇（PEG）的近红外荧光染料。这些化合物在生物系统中的行为类似于PEG。其中一种荧光化合物的化学式为（I）：其中，R1是一个荧光基团，其吸收波长最大值在450到1500纳米的范围内，R2是一个非反应性基团，n是一个整数。另一种荧光化合物的化学式为（II）：其中，R1是一个荧光基团，其吸收波长最大值在450到1500纳米的范围内，R2是一个非反应性基团，R3是一个包括氨基酸基团的支架，n是一个整数。支架可以连接到螯合剂、蛋白质、酶、肽、抗体或药物，以定位到主体中的某个位点。
• [EN] METHODS OF SYNTHESIZING AND USING PEG-LIKE FLUOROCHROMES<br/>[FR] PROCÉDÉS DE SYNTHÈSE ET D'UTILISATION DE FLUOROCHROMES DE TYPE PEG
  申请人：GEN HOSPITAL CORP

  公开号：WO2014055253A1

  公开（公告）日：2014-04-10

  Fluorescent compounds include near infrared fluorochromes that are covalently linked to polyethylene glycol (PEG). The compounds behave like PEG in biological systems. One fluorescent compound has the formula (I): wherein R1 is a fluorescent moiety having an absorption wavelength maxima in the range of 450 to 1500 nanometers, R2 is a non-reactive moiety, and n is an integer. Another fluorescent compound has the formula (II): wherein R1 is a fluorescent moiety having an absorption wavelength maxima in the range of 450 to 1500 nanometers, R2 is a non-reactive moiety, R3 is a scaffold including an amino acid group, and n is an integer. The scaffold can be attached to a chelate, protein, enzyme, peptide, antibody, or drug that can target a site in a subject.