去[2-[(2-羟基乙基)氨基]乙基]米托蒽醌 | 89991-52-6

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 去[2-[(2-羟基乙基)氨基]乙基]米托蒽醌
• 中文别名: 米托蒽醌杂质A
• 英文名称: 1-amino-5,8-dihydroxy-4-(2-(2-hydroxyethylamino)ethylamino)anthracene-9,10-dione
• 英文别名: 1-[2-(2-hydroxyethylamino)-ethylamino]-4-amino-5,8-dihydroxyanthraquinone；1-Amino-5,8-Dihydroxy-4-({2-[(2-Hydroxyethyl)amino]ethyl}amino)anthracene-9,10-Dione；1-amino-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
• CAS: 89991-52-6
• 化学式: C₁₈H₁₉N₃O₅
• 分子量: 357.366
• InChiKey: NBSLQRRHRCDIHJ-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  145
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-氟-1-去[2-[(2-羟基乙基)氨基]乙基氨基]米托蒽醌 在 ammonium hydroxide 作用下， 以 吡啶 为溶剂， 反应 2.0h， 以50%的产率得到去[2-[(2-羟基乙基)氨基]乙基]米托蒽醌
  参考文献：
  名称：

  Mitoxantrone Analogues as Ligands for a Stem−Loop Structure of Tau Pre-mRNA

  摘要：

  A series of mitoxantrone (MTX) analogues have been designed, synthesized, and evaluated for binding to and stabilizing a stern-loop structure that serves as a splicing regulatory element in the pre-mRNA of tau, which is involved in Alzheimer's and other neurodegenerative diseases. Several compounds showed significantly improved binding activity relative to the original screening hit mitoxantrone. These findings establish essential structure-activity relationships to further optimize the activity of this promising class of compounds.

  DOI：

  10.1021/jm9013407

文献信息

• ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE
  申请人：Mabplex International, Ltd.

  公开号：EP3760233A1

  公开（公告）日：2021-01-06

  The present invention relates to a "one-pot process" for preparing intermediate of antibody-drug conjugate. The preparation process provided by the present invention is simple in operation, and needs no such steps like concentration, washing and filtration of the intermediate reaction liquid, disposal of the organic waste liquid, and packaging and storage of the intermediate. The entire reaction system comprises only one separation and purification treatment, saving costs for labor, equipment, venues, raw materials, etc., and greatly reducing the pollution to the environment. In addition, the "one-pot process" for preparing intermediate of antibody-drug conjugate of the present invention produces the intermediate of antibody-drug conjugate with higher yield. The "one-pot process" for preparing intermediate of antibody-drug conjugate provided by the present invention is more suitable for scale-up production.

  本发明涉及一种制备抗体药物共轭物中间体的 "一锅法"。本发明提供的制备工艺操作简单，无需中间体反应液的浓缩、洗涤、过滤，有机废液的处理，中间体的包装和储存等步骤。整个反应系统只需一次分离提纯处理，节省了人工、设备、场地、原料等成本，大大减少了对环境的污染。此外，本发明制备抗体药物共轭物中间体的 "一锅法 "生产的抗体药物共轭物中间体收率更高。本发明提供的制备抗体药物共轭物中间体的 "一锅法 "更适合规模化生产。
• MURDOCK, K. C.
  作者：MURDOCK, K. C.

  DOI：——

  日期：——
• US4428882A
  申请人：——

  公开号：US4428882A

  公开（公告）日：1984-01-31
• Mitoxantrone Analogues as Ligands for a Stem−Loop Structure of Tau Pre-mRNA
  作者：Yang Liu、Eleanor Peacey、John Dickson、Christine P. Donahue、Suxin Zheng、Gabriele Varani、Michael S. Wolfe

  DOI：10.1021/jm9013407

  日期：2009.11.12

  A series of mitoxantrone (MTX) analogues have been designed, synthesized, and evaluated for binding to and stabilizing a stern-loop structure that serves as a splicing regulatory element in the pre-mRNA of tau, which is involved in Alzheimer's and other neurodegenerative diseases. Several compounds showed significantly improved binding activity relative to the original screening hit mitoxantrone. These findings establish essential structure-activity relationships to further optimize the activity of this promising class of compounds.