4-[2-[(E)-2-[(3E)-2-[4-[2-[[(4R)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-formyloxybutanoyl]amino]ethylcarbamoyl]phenyl]-3-[(2E)-2-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-2-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 4-[2-[(E)-2-[(3E)-2-[4-[2-[[(4R)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-formyloxybutanoyl]amino]ethylcarbamoyl]phenyl]-3-[(2E)-2-[1,1-dimethyl-3-(3-methylbutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-2-sulfonic acid
• 化学式: C75H82N11O9S+
• 分子量: 1313.6
• InChiKey: XNJJOBHYFHGMOG-HCWPFMIJSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  96
• 可旋转键数：
  25
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  288
• 氢给体数：
  7
• 氢受体数：
  13

文献信息

• US20140271476A1
  申请人：——

  公开号：US20140271476A1

  公开（公告）日：2014-09-18
• US20140271482A1
  申请人：——

  公开号：US20140271482A1

  公开（公告）日：2014-09-18
• SYNTHESIS AND COMPOSITION OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR THE TARGETED IMAGING OF TUMORS
  申请人：Purdue Research Foundation

  公开号：US20160011199A1

  公开（公告）日：2016-01-14

  The present disclosure relates to compounds that are useful as near-infrared fluorescence probes, wherein the compounds include i) a pteroyl ligand that binds to a target receptor protein, ii) a dye molecule, and iii) a linker molecule that comprises an amino acid or derivative thereof. The disclosure further describes methods and compositions for making and using the compounds, methods incorporating the compounds, and kits incorporating the compounds.
• US9061057B2
  申请人：——

  公开号：US9061057B2

  公开（公告）日：2015-06-23
• US9341629B2
  申请人：——

  公开号：US9341629B2

  公开（公告）日：2016-05-17