4-[2-chloro-3-[(E)-3-[(1-methylnaphthalen-2-yl)-(4-sulfobutyl)amino]but-2-enylidene]cyclohexen-1-yl]but-3-en-2-ylidene-(1-methylnaphthalen-2-yl)-(4-sulfobutyl)azanium

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[2-chloro-3-[(E)-3-[(1-methylnaphthalen-2-yl)-(4-sulfobutyl)amino]but-2-enylidene]cyclohexen-1-yl]but-3-en-2-ylidene-(1-methylnaphthalen-2-yl)-(4-sulfobutyl)azanium
• 化学式: C44H52ClN2O6S2+
• 分子量: 804.5
• InChiKey: FTJANIXGPOSJDZ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  55
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• ADDUCT OF FLUORESCENT DYE AND TUMOR AVID TETRAPYRROLE
  申请人：Health Research, INC.

  公开号：EP1781170B1

  公开（公告）日：2014-04-30
• CYANINE DYE COMPOUND AND PREPARATION METHOD THEREFOR, AND DUAL-FUNCTION AGENT FOR PHOTODYNAMIC THERAPY AND PREPARATION METHOD THEREFOR
  申请人：ZHEJIANG HISUN PHARMACEUTICAL CO., LTD.

  公开号：US20150329490A1

  公开（公告）日：2015-11-19

  Disclosed are a cyanine dye compound and a preparation method therefor, and a dual-function agent for photodynamic therapy and a preparation method therefor. The provided cyanine dye compound is connected to multiple markers, which improves the accuracy of combination of dye and tumor cells, effectively reduces the background value, and avoids excessive residues in the liver. The provided cyanine dye compound is conjugated with the photosensitizer at 2′″ position, so that tumor highly absorbs the conjugates.
• US9821062B2
  申请人：——

  公开号：US9821062B2

  公开（公告）日：2017-11-21