2-[2-[5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-5-(2-sulfoethylcarbamoyl)-3-[2-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-[2-[5-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyl]-5-(2-sulfoethylcarbamoyl)-3-[2-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3-sulfopropyl)indole-5-sulfonic acid
• 化学式: C47H58N5O18S5+
• 分子量: 1141.3
• InChiKey: AWFGTMFUXWHMNO-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  75
• 可旋转键数：
  25
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  408
• 氢给体数：
  6
• 氢受体数：
  20

文献信息

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

  公开号：US11193932B2

  公开（公告）日：2021-12-07

  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.

  这项发明涉及一类包含荧光青菁染料的化合物家族。这些化合物是近红外吸收的七甲基青菁染料，其中4,4-二取代环己基环是聚甲红色团的一部分。这些化合物通常是亲水的，可以与生物分子（如蛋白质、核酸和治疗性小分子）进行化学连接。这些化合物可用于医学、生物学和诊断应用的各种成像。
• 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.
• US9897604B2
  申请人：——

  公开号：US9897604B2

  公开（公告）日：2018-02-20
• [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.