(4Z)-3-hydroxy-4-[[1-(3-phenylpropyl)benzo[cd]indol-1-ium-2-yl]methylidene]-2-[(Z)-[1-(3-phenylpropyl)benzo[cd]indol-2-ylidene]methyl]cyclobut-2-en-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4Z)-3-hydroxy-4-[[1-(3-phenylpropyl)benzo[cd]indol-1-ium-2-yl]methylidene]-2-[(Z)-[1-(3-phenylpropyl)benzo[cd]indol-2-ylidene]methyl]cyclobut-2-en-1-one
• 化学式: C46H37N2O2+
• 分子量: 649.8
• InChiKey: SBNSFGTZAHZDNT-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  50
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  43.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY
  申请人：Chung Leland W.K.

  公开号：US20110085974A1

  公开（公告）日：2011-04-14

  The present invention describes small molecule ligand-drug conjugates and methods of using the small molecule ligand-drug conjugates for targeted treatment of cancer in a patient in need thereof. Further described are methods of sterilizing circulating tumor cells and determining drug concentration in cancer tissue.
• NEAR INFRARED ABSORBING FLUORESCENT COMPOSITIONS
  申请人：GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US20170233577A1

  公开（公告）日：2017-08-17

  Provided herein are heterocyclic near infrared compounds, including near IR compounds defined by Formulae I-V described herein. The near infrared compounds can include a cyanine group, a phthalocyanine group, a naphthalocyanine group, a squaraine group, a carbocyanine group, or a combination thereof. In some embodiments, the near infrared compound can be charged. In some embodiments, the near infrared compound can comprise a cationic group. Compositions comprising the near infrared compounds are also disclosed. In some embodiments, the composition can contain the near infrared compound, a polymer, and an acceptable carrier. In some embodiments, the polymer can include an anionic group. The compositions can be used as a coating for marking a surface, such as an ink. The compositions can also be used on articles for detecting, identifying, or authenticating the article. Methods of making the compositions described herein are also disclosed.