merocyanine 540 | 62796-23-0

• 物质功能分类: 生物化工 - 生化试剂 - 荧光成像
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑啉
• 英文名称: merocyanine 540
• 英文别名: merocyanine-540；sodium;3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
• CAS: 62796-23-0
• 化学式: C₂₆H₃₂N₃O₆S₂*Na
• 分子量: 569.678
• InChiKey: OSQUFVVXNRMSHL-SQAHINLZSA-M

物化性质

• 熔点：
  285 °C (dec.)(lit.)
• 溶解度：
  可溶于DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  151
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• RTECS号：
  DM4866500
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  merocyanine 540 在 氧气 作用下， 以 氘代甲醇 为溶剂， 生成 N-(3-sulfonatopropyl)-2-benzoxazolinone
  参考文献：
  名称：

  花青染料的辐射化学：花青素540的氧化和还原

  摘要：

  Merocyanine 540 (MC) shows promise as a treatment for certain types of leukemia. It is shown that MC readily undergoes one-electron reduction under pulse radiolytic conditions. The pi-radical anion, produced by reduction with hydrated electrons and 2-hydroxypropyl radicals, disproportionates rapidly (k = 1.9 x 10(9) M-1 s-1) under anaerobic conditions but reduces O2 to superoxide ions (k = 1.6 x 10(9) M-1 s-1) in aerated solution. The dye reacts with trichloromethylperoxyl radicals (k = 9 x 10(8) M-1 s-1) to form several products, one of which is believed to be an adduct formed by addition of CCl3OO. to the bridgehead carbon atom of the benzoxazole subunit. This species decays via first-order kinetics (k = 4.0 x 10(3) s-1) under pulse radiolytic conditions to form cleavage products. A second primary product is believed to arise from addition of CCl3O2. to the polymethine chain to form an alpha-amino carbon-centered radical capable of reducing O2 to superoxide ions. Preliminary studies indicate that the breakdown products are cytotoxic and could be important intermediates for the known antiviral activity of MC.

  DOI：

  10.1021/j100159a055
• 作为产物：
  描述：

  merocyanine 540 以 乙醇 为溶剂， 生成 merocyanine 540
  参考文献：
  名称：

  空间受限的花菁染料的光异构化

  摘要：

  关于花菁540衍生物和相关花青染料的光物理性质的特别关注，涉及鉴定中心多烯桥中的哪个双键经历光诱导的异构化。为了解决这个问题，我们合成了一种新型的花菁染料，其中第一个双键内置在防止该位点异构化的环状结构中。与预期相反，染料以合理的效率进行光致异构化，从而使荧光的量子产率和与三重态歧管交叉的系统间保持较小。对于这种染料，异构化必须在中心双键处进行。进一步表明，将大基团或约束基团插入多烯桥的策略对于开发高度荧光的花菁染料不是可行的方法。

  DOI：

  10.1039/a801248b

文献信息

• [EN] METHODS OF FOLDING A GRAFT COPOLYMER WITH DUAL ANTICANCER DRUGS AND RELATED APPLICATIONS<br/>[FR] PROCÉDÉS DE REPLIEMENT D'UN COPOLYMÈRE GREFFÉ PORTEUR D'UN DUO DE MÉDICAMENTS ANTICANCÉREUX, ET APPLICATIONS ASSOCIÉES
  申请人：UNIV NORTH CAROLINA STATE

  公开号：WO2015179402A1

  公开（公告）日：2015-11-26

  A graft copolymer having drug-containing side chains is described. The graft copolymer can be prepared, for example, by directly polymerizing a drug- containing monomer on multiple sites of a linear copolymer. When exposed to water, the graft copolymer can form uniform nanocarriers, e.g., nanomicelles, optionally encapsulating additional drugs, e.g., non-covalently in the interior of the nanocarriers, for coordinated drug delivery of a plurality of drugs. Also described herein is the use of the nanocarriers for delivery of therapeutic agents, particularly the dual delivery of chemotherapeutic agents to treat tumors.

  一种具有含药侧链的嫁接共聚物被描述。该嫁接共聚物可以通过在线性共聚物的多个位点上直接聚合含药单体来制备。当暴露在水中时，该嫁接共聚物可以形成均匀的纳米载体，例如纳米胶束，可选择地在纳米载体的内部非共价地封装额外的药物，以协调输送多种药物的药物传递。本文还描述了利用这些纳米载体输送治疗剂，特别是双重输送化疗剂以治疗肿瘤。
• SHIGA TOXIN B-SUBUNIT/CHEMOTHERAPEUTICS CONJUGATES
  申请人：Johannes Ludger

  公开号：US20110152252A1

  公开（公告）日：2011-06-23

  The present invention relates to the use of a Shiga toxin B-subunit moiety as carrier for therapeutic agents, for example, anti-cancer agents such as anti-cancer agents that require intracellular uptake to exert their anti-cancer effects. In particular, the present invention provides conjugates comprising a Shiga toxin moiety covalently linked to an anti-cancer agent through a self-immolative spacer, and methods of using such conjugates to increase cellular uptake and/or specificity for cancer cells of the anti-cancer drug. Also provided are methods of treatment involving administration of such conjugates, and pharmaceutical compositions and kits useful for carrying out such methods of treatment.

  本发明涉及使用志贺毒素B亚基部分作为治疗剂如抗癌剂的载体，例如，需要胞内摄取以发挥其抗癌效果的抗癌剂。尤其地，本发明提供了一种偶联物，该偶联物包括通过自焚间隔物与抗癌剂共价连接的志贺毒素部分，以及使用这种偶联物来增加抗癌药物的细胞摄取和/或对癌细胞的特异性的方法。还提供了涉及施用这种偶联物的治疗方法，以及用于执行这种治疗方法的药物组合物和试剂盒。
• [EN] SONODYNAMIC THERAPY<br/>[FR] THÉRAPIE SONODYNAMIQUE
  申请人：CALLAN JOHN

  公开号：WO2020249953A1

  公开（公告）日：2020-12-17

  The invention provides a method of preparing a microbubble covalently attached to at least one therapeutic agent which comprises: (i) providing a lipid (e.g. a phospholipid) capable of forming a microbubble; covalently linking at least one therapeutic agent to said lipid to produce a functionalised lipid; and preparing a microbubble from said functionalised lipid. Microbubble-therapeutic agent complexes which comprise a microbubble shell formed from a plurality of lipids (e.g. phospholipids) in which at least a proportion of the lipids are covalently linked to at least one therapeutic agent are also provided. Examples of therapeutic agents which may be attached to the microbubble include chemotherapeutic agents and sonosensitising agents. The complexes find use in methods of sonodynamic therapy and, in particular, in methods of combined sonodynamic therapy and chemotherapy.

  该发明提供了一种制备与至少一种治疗剂共价连接的微泡的方法，该方法包括：提供一种能够形成微泡的脂质（例如磷脂）；将至少一种治疗剂共价连接到所述脂质以产生功能化脂质；以及从所述功能化脂质制备微泡。还提供了包含由多个脂质（例如磷脂）形成的微泡壳的微泡-治疗剂复合物，其中至少一部分脂质共价连接到至少一种治疗剂。可能连接到微泡的治疗剂的例子包括化疗药物和声敏化剂。这些复合物在声动力治疗方法中找到了用途，特别是在结合声动力治疗和化疗的方法中。
• [EN] COMPOUNDS FOR USE IN CANCER THERAPY<br/>[FR] COMPOSÉS POUR UTILISATION DANS LA THÉRAPIE DU CANCER
  申请人：NUHOPE LLC

  公开号：WO2013024447A1

  公开（公告）日：2013-02-21

  Provided are methods and compositions for use in therapy, and in particular for treating cancer, preferably drug-resistant cancer, and/or radiation resistant cancer. The compounds may be used for reducing tumor size in a mammalian subject and for inducing apoptosis in a tumor cell. The methods are effective on tumor cells that are resistant to drugs such as temozolomide, doxorubicin, and geldanamycin, as well as non-resistant tumor cells. Further provided are barbiturate and thiobarbiturates diene compounds for use in treating cancer, and uses, methods and compositions relating to these compounds.

  提供了用于治疗的方法和组合物，特别是用于治疗癌症，最好是药物耐药性癌症和/或放射线耐药性癌症。这些化合物可用于减小哺乳动物主体的肿瘤大小，并诱导肿瘤细胞凋亡。这些方法对于对于药物如替莫唑胺、多柔比星和格兰达霉素耐药的肿瘤细胞以及非耐药的肿瘤细胞都有效。此外，还提供了用于治疗癌症的巴比妥和硫代巴比妥二烯化合物，以及与这些化合物相关的用途、方法和组合物。
• [EN] MICROBUBBLE-CHEMOTHERAPEUTIC AGENT COMPLEX FOR SONODYNAMIC THERAPY<br/>[FR] COMPLEXE D'AGENT CHIMIOTHÉRAPEUTIQUE À MICROBULLES POUR THÉRAPIE SONODYNAMIQUE
  申请人：UNIV ULSTER

  公开号：WO2017089800A1

  公开（公告）日：2017-06-01

  The invention relates to methods of sonodynamic therapy comprising the co-administration of a microbubble-chemotherapeutic agent complex together with a microbubble-sonosensitiser complex. It further relates to pharmaceutical compositions comprising these complexes and their use in methods of sonodynamic therapy and/or sonodynamic diagnosis. Such methods find particular use in the treatment of cancer, e.g. pancreatic cancer.

  该发明涉及超声动力疗法方法，包括共同给予微泡化疗药物复合物和微泡声敏剂复合物。它还涉及包含这些复合物的药物组合物及其在超声动力疗法和/或超声动力诊断方法中的使用。这些方法在癌症治疗中特别有用，例如胰腺癌。