4-[[4-[二[4-[(4-磺酸基苯基)氨基]苯基]亚甲基]环己-2,5-二烯-1-亚基]氨基]苯磺酸二钠 | 6415-98-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[[4-[二[4-[(4-磺酸基苯基)氨基]苯基]亚甲基]环己-2,5-二烯-1-亚基]氨基]苯磺酸二钠
• 英文名称: Disodium;4-[4-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate
• CAS: 6415-98-1
• 化学式: C37H27N3Na2O9S3
• 分子量: 799.8
• InChiKey: MCPLVIGCWWTHFH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  230
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• [EN] INHIBITORS OF α-AMINO-β-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE<br/>[FR] INHIBITEURS DE LA SEMIALDÉHYDE DÉCARBOXYLASE DE L'ACIDE ALPHA-AMINO-BÊTA-CARBOXYMUCONIQUE
  申请人：TES PHARMA S R L

  公开号：WO2016030534A1

  公开（公告）日：2016-03-03

  The present disclosure discloses compounds capable of modulating the activity of α-amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD+ biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.

  本公开揭示了能够调节α-氨基-β-羧基黄酮酸半醛脱羧酶（ACMSD）活性的化合物，这些化合物对于预防和/或治疗与NAD+生物合成缺陷相关的疾病和紊乱非常有用，例如代谢紊乱、神经退行性疾病、慢性炎症性疾病、肾脏疾病以及与衰老相关的疾病。本申请还揭示了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。
• [EN] INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE<br/>[FR] INHIBITEURS DE LA SEMIALDÉHYDE DÉCARBOXYLASE DE L'ACIDE ALPHA-AMINO-BÊTA-CARBOXYMUCONIQUE
  申请人：TES PHARMA S R L

  公开号：WO2018069532A1

  公开（公告）日：2018-04-19

  The present disclosure discloses compounds capable of modulating the activity of α- amino-β-carboxymuconic acid semialdehyde decarboxylase (ACMSD), which are useful for the prevention and/or the treatment of diseases and disorders associated with defects in NAD+ biosynthesis, e.g., metabolic disorders, neurodegenerative diseases, chronic inflammatory diseases, kidney diseases, and diseases associated with ageing. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament.

  本公开揭示了能够调节α-氨基-β-羧基琥珀酸半醛脱羧酶（ACMSD）活性的化合物，这些化合物对于预防和/或治疗与NAD+生物合成缺陷相关的疾病和疾病非常有用，例如代谢紊乱、神经退行性疾病、慢性炎症性疾病、肾脏疾病以及与衰老相关的疾病。本申请还揭示了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。
• METHOD FOR TREATING VIRUS INFECTION USING DERIVATIVE OF ANILINE
  申请人：CHINA MEDICAL UNIVERSITY

  公开号：US20150182491A1

  公开（公告）日：2015-07-02

  A method for treating a virus infection in a subject is provided. The method comprising administering to the subject in need an effective amount of a derivative of aniline selected from the group consisting of a compound of formula (I), a pharmaceutically acceptable salt of the compound of formula (I), a pharmaceutically acceptable ester of the compound of formula (I), and combinations thereof: wherein, R 1 is C1 to C10 alkyl; R 2 is H or C1 to C4 alkyl; and R 3 , R 4 , R 5 , R 6 and R 7 are independently H, —OH, halogen, C1 to C10 alkyl, C1 to C10 alkoxyl, or (C1 to C10 alkylene)-O—O—(C1 to C10 alkyl).

  提供了一种治疗受试者病毒感染的方法。该方法包括向需要的受试者投与苯胺衍生物的有效量，所述苯胺衍生物从以下组中选择：公式(I)化合物、公式(I)化合物的药用可接受盐、公式(I)化合物的药用可接受酯，以及它们的组合：其中，R1为C1至C10烷基；R2为H或C1至C4烷基；以及R3、R4、R5、R6和R7独立地为H、—OH、卤素、C1至C10烷基、C1至C10烷氧基，或(C1至C10烷基)-O—O—(C1至C10烷基)。
• [EN] AIE COMPOUNDS WITH FLUORESCENCE, PHOTOACOUSTIC, AND RAMAN PROPERTIES<br/>[FR] COMPOSÉS AIE À PROPRIÉTÉS DE FLUORESCENCE, PHOTOACOUSTIQUES ET RAMAN
  申请人：UNIV HONG KONG SCI & TECH

  公开号：WO2020182174A1

  公开（公告）日：2020-09-17

  The present subject matter relates to fluorescent compounds that have aggregation-induced emission (AIE) characteristics. The compounds exhibit boosted fluorescence, photoacoustic (PA) properties, and Raman properties. The compounds, in nanoparticle form, can generate high fluorescence, PA, and Raman signals in aqueous environments. The compounds can be used to identify tumors at different surgical stages and improve cancer surgery outcomes.

  本主题涉及具有聚集诱导发光（AIE）特性的荧光化合物。这些化合物表现出增强的荧光、光声（PA）特性和拉曼特性。这些化合物以纳米粒子形式，在水性环境中能够产生高荧光、光声和拉曼信号。这些化合物可以用于在不同手术阶段识别肿瘤并改善癌症手术结果。
• Preparation of prodrugs for selective drug delivery
  申请人：Mills L. Randell

  公开号：US20050080260A1

  公开（公告）日：2005-04-14

  Synthesis of a chemical compound having the formula A-B-C that may serve for applications such as drug delivery where A is a chemiluminescent, moiety, B is a photochromic moiety, and C is a biologically active moiety where A-B-C may serve as a prodrug. Novel synthetic methods of the present invention to form the prodrug comprised the steps of (1) forming a benzophenone, (2) forming a diaryl ethylene, (3) attaching a phthalimide moiety to at least one of the aryl groups of the ethylene to form a phthalimide-ethylene conjugate, (4) condensing two ethylene-phthalimide conjugates to form a phthalimide-pentadiene conjugate, (5) converting the phthalimide to the phthalhydrazide by reaction with hydrazine to form a carrier compound according to the present invention, and (6) reacting the carrier compound with an nucleophilic moiety of the drug to form the corresponding prodrug. Alternatively the carrier can be prepared by using the halo-substituted diaryl ethylene to make the corresponding cationic leuco dye-like compound with known methods. The cationic compound then is protected by reacting with a nucleophile and coupled with the aminophathalimide by palladium-catalyzed amination to form the protected phthalimide-pentadiene conjugate. The latter is refluxed with hydrazine to convert its phthalimide to the phthalhydrazide and acidified to give the carrier. An additional aspect of the present invention relates to the use of these compounds as antiviral agents for the treatment of viral infections such as HIV and as anticancer agents for the treatment of cancers such as bowel, lung, and breast cancer.

  合成具有A-B-C化学式的化合物，可用于药物传递等应用，其中A是化学发光基团，B是光致变色基团，C是生物活性基团，其中A-B-C可作为前药。本发明的新型合成方法用于形成前药，包括以下步骤：(1)形成苯酮，(2)形成二芳基乙烯，(3)将邻苯二甲酰亚胺基团连接到乙烯的至少一个芳基上，形成邻苯二甲酰亚胺-乙烯共轭物，(4)缩合两个乙烯-邻苯二甲酰亚胺共轭物，形成邻苯二甲酰亚胺-戊二烯共轭物，(5)通过与肼反应将邻苯二甲酰亚胺转化为邻苯二酰肼，形成本发明的载体化合物，(6)将载体化合物与药物的亲核基团反应，形成相应的前药。另外，可以通过使用卤代二芳基乙烯制备相应的阳离子类似的类似类似染料化合物。然后，通过与亲核试剂反应保护阳离子类似化合物，并通过钯催化的胺化与氨基邻苯二甲酰亚胺偶联，形成保护的邻苯二甲酰亚胺-戊二烯共轭物。后者与肼回流，将其邻苯二甲酰亚胺转化为邻苯二酰肼，并酸化以得到载体。本发明的另一个方面涉及将这些化合物用作抗病毒剂，用于治疗病毒感染，如HIV，以及用作抗癌剂，用于治疗结肠癌、肺癌和乳腺癌等癌症。

表征谱图