N-((1E,3E,5Z)-5-(phenylimino)penta-1,3-dien-1-yl)benzenaminium chloride | 149436-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-((1E,3E,5Z)-5-(phenylimino)penta-1,3-dien-1-yl)benzenaminium chloride
• 英文别名: N-[5-(phenylamino)-2,4-pentadienylidene]aniline monohydrochloride；N-[5-(phenylamino)-2,4-pentadienylidene]aniline hydrochloride；N-(5-anilino-2,4-pentadienylidene)aniline hydrochloride；glutaconaldehyde dianil monohydrochloride
• CAS: 149436-27-1
• 化学式: C₁₇H₁₆N₂*ClH
• 分子量: 284.788
• InChiKey: VUCMMJBDNXZQDJ-PPDFRIDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-((1E,3E,5Z)-5-(phenylimino)penta-1,3-dien-1-yl)benzenaminium chloride 、 3-(5-carboxypentyl)-4,6-diiodo-1,2,3-trimethyl-3H-indolium iodide 以10%的产率得到3-(5-carboxypentyl)-2-{7-[3-(5-carboxypentyl)-4,6-diiodo-1,3-dimethyl-2,3-dihydro-1H-2-indolyliden]-1,3,5-heptatrienyl}-4,6-diiodo-1,3-dimethyl-3H-indolium iodide
  参考文献：
  名称：

  HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY

  摘要：

  描述了卤素有机杂环化合物，其中至少有两个卤素原子与化合物的含氮杂环末端基团结合，其中至少一个卤素原子为碘或溴。还描述了基于这些杂环化合物的聚甲烯染料，以及这些聚甲烯染料的树枝状化合物和共轭物。这些聚甲烯染料具有增强的性能，例如亮度、光稳定性、灵敏度和/或选择性亲和力，使它们在靶向癌细胞、病原微生物和/或其他生物材料的应用中具有用途，例如光动力疗法、光动力抗微生物化疗（PACT）、癌症治疗、选择性去除或附着生物材料、抗微生物涂层材料以及其他诊断、治疗学、光谱转移、沉积/生长和分析应用。

  公开号：

  US20130231604A1

文献信息

• MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES
  申请人：LIFE TECHNOLOGIES CORPORATION

  公开号：US20150218380A1

  公开（公告）日：2015-08-06

  Chemically reactive carbocyanine dyes incorporating an indolium ring moiety that is substituted at the 3-position by a reactive group or by a conjugated substance, and their uses, are described. Conjugation through this position results in spectral properties that are uniformly superior to those of conjugates of spectrally similar dyes wherein attachment is at a different position. The invention includes derivative compounds having one or more benzo nitrogens.

  化学反应性碳氰染料包含一个在3位被反应性基团或共轭物质取代的吲哚环部分，并描述了它们的用途。通过这个位置的共轭导致光谱特性均优于在不同位置附着的光谱相似染料的共轭物。该发明包括具有一个或多个苯并氮的衍生化合物。
• Modified carbocyanine dyes and their conjugates
  申请人：MOLECULAR PROBES, INC.

  公开号：US20020077487A1

  公开（公告）日：2002-06-20

  Chemically reactive carbocyanine dyes incorporating an indolium ring moiety that is substituted at the 3-position by a reactive group or by a conjugated substance, and their uses, are described. Conjugation through this position results in spectral properties that are uniformly superior to those of conjugates of spectrally similar dyes wherein attachment is at a different position. The invention includes derivative compounds having one or more benzo nitrogens.

  描述了化学反应性碳氰染料，其中包含一个在3位被反应性基团或共轭物质取代的吲哚环部分，并描述了它们的用途。通过这个位置的共轭导致了光谱性质优于在不同位置附着的光谱相似染料的共轭物。该发明包括具有一个或多个苯并氮的衍生化合物。
• Cyanine dyes and their applications as luminescence quenching compounds
  申请人：Diwu Zhenjun

  公开号：US20060223076A1

  公开（公告）日：2006-10-05

  The quenching compounds of the invention are weakly luminescent cyanines that are substituted by one or more heteroaromatic quenching moieties. The quenching compounds of the invention exhibit little or no observable luminescence and efficiently quench a broad spectrum of luminescent compounds. The chemically reactive quenching compounds possess utility for labeling a wide variety of substances, including biomolecules. These labeled substances are highly useful for a variety of energy-transfer assays and applications.

  本发明的淬火化合物是一种弱发光的靛红类化合物，其被一个或多个杂环淬火基团取代。本发明的淬火化合物几乎不发出可观察的发光，并且有效地淬灭了广泛光谱的发光化合物。这些化学反应性的淬火化合物具有用于标记各种物质，包括生物分子的实用性。这些标记的物质对于各种能量转移测定和应用非常有用。
• Loaded latex optical molecular imaging probes
  申请人：Leon Jeffrey W.

  公开号：US20080181965A1

  公开（公告）日：2008-07-31

  The present invention relates to a loaded latex particle comprising a latex material made from a mixture represented by formula (X)m-(Y)n-(Z)o-(W)p, wherein Y is at least one monomer with at least two ethylenically unsaturated chemical functionalities; Z is at least one polyethylene glycol macromonomer with an average molecular weight of between 300 and 10,000; W is an ethylenic monomer different from X, Y, or Z; and X is at least one water insoluble, alkoxethyl containing monomer; and m, n, o, and p are the respective weight percentages of each monomer. The particle may be loaded with a fluorescent dye.

  本发明涉及一种载荷乳胶颗粒，该乳胶材料由以下式表示的混合物制成：(X)m-(Y)n-(Z)o-(W)p，其中Y至少是一种具有至少两个乙烯不饱和化学官能团的单体；Z至少是一种聚乙二醇马克蒙单体，其平均分子量在300至10,000之间；W是与X、Y或Z不同的乙烯单体；X至少是一种水不溶性、含有烷氧基乙烯的单体；m、n、o和p分别是每种单体的重量百分比。该颗粒可以装载荧光染料。
• [EN] DIAGNOSING AND TREATING CANCER<br/>[FR] DIAGNOSTIC ET TRAITEMENT DU CANCER
  申请人：UNIV PENNSYLVANIA

  公开号：WO2014165216A1

  公开（公告）日：2014-10-09

  The invention relates to compositions and methods for diagnosing as well as treating cancer diseases associated with choline kinase (ChoK). Specifically, the invention relates to a composition comprising an intrinsically fluorescent choline kinase (ChoK) inhibitor or a ChoK inhibitor operably linked to a fluorescent dye. The composition is capable of diagnosing and/or treating cancer diseases associated with ChoK.

  本发明涉及与胆碱激酶（ChoK）相关的癌症疾病的诊断和治疗的组合物和方法。具体而言，本发明涉及一种组合物，包括本质上荧光的胆碱激酶（ChoK）抑制剂或与荧光染料操作性链接的ChoK抑制剂。该组合物能够诊断和/或治疗与ChoK相关的癌症疾病。