3-[2-[2-[3-[2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]ethenyl]-5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[2-[2-[3-[2-[1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]ethenyl]-5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-5-(2-sulfoethylcarbamoyl)cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propane-1-sulfonic acid
• 化学式: C58H68N5O15S3+
• 分子量: 1171.4
• InChiKey: UZPKJDMUJVCHKI-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  81
• 可旋转键数：
  24
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  316
• 氢给体数：
  5
• 氢受体数：
  16

文献信息

• 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof
  申请人：VisEn Medical, Inc.

  公开号：US10473658B2

  公开（公告）日：2019-11-12

  The invention relates to a family of compounds that comprise fluorescent cyanine dyes. The compounds are near infrared absorbing heptamethine cyanine dyes with a 4,4-disubstituted cyclohexyl ring as part of the polymethine chromophore. The compounds are generally hydrophilic and can be chemically linked to biomolecules, such as proteins, nucleic acids, and therapeutic small molecules. The compounds can be used for imaging in a variety of medical, biological and diagnostic applications.

  本发明涉及一系列包含荧光氰基染料的化合物。这些化合物是可吸收近红外的七甲基氰基染料，其多甲基发色团的一部分是 4,4-二取代环己基环。这些化合物通常具有亲水性，可与蛋白质、核酸和治疗性小分子等生物大分子发生化学连接。这些化合物可用于各种医疗、生物和诊断应用中的成像。
• 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF
  申请人：VisEn Medical, Inc.

  公开号：US20180164312A1

  公开（公告）日：2018-06-14

  The invention relates to a family of compounds that comprise fluorescent cyanine dyes. The compounds are near infrared absorbing heptamethine cyanine dyes with a 4,4-disubstituted cyclohexyl ring as part of the polymethine chromophore. The compounds are generally hydrophilic and can be chemically linked to biomolecules, such as proteins, nucleic acids, and therapeutic small molecules. The compounds can be used for imaging in a variety of medical, biological and diagnostic applications.
• [EN] 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF<br/>[FR] COLORANTS D'HEPTAMÉTHINE CYANINE PONTÉE PAR CYCLOHEXYLE 4,4-DISUBSTITUÉ ET LEURS UTILISATIONS
  申请人：VISEN MEDICAL INC

  公开号：WO2014144702A2

  公开（公告）日：2014-09-18

  The invention relates to a family of compounds that comprise fluorescent cyanine dyes. The compounds are near infrared absorbing heptamethine cyanine dyes with a 4,4-disubstituted cyclohexyl ring as part of the polymethine chromophore. The compounds are generally hydrophilic and can be chemically linked to biomolecules, such as proteins, nucleic acids, and therapeutic small molecules. The compounds can be used for imaging in a variety of medical, biological and diagnostic applications.