[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-(methylamino)propanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-(methylamino)propanoate
• 化学式: C₃₂H₄₄ClN₃O₉
• 分子量: 650.2
• InChiKey: ANHBJISROJTYCJ-ATELFFGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  45
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• [EN] CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS<br/>[FR] CONJUGUÉS COMPRENANT DES AGENTS DE LIAISON CELLULAIRE ET DES AGENTS CYTOTOXIQUES
  申请人：IMMUNOGEN INC

  公开号：WO2016036794A1

  公开（公告）日：2016-03-10

  The invention relates to novel cell-binding agent-cytotoxic agent conjugates, wherein the cell-binding agent (CBA) is covalently linked to the cytotoxic agent through an aldehyde group obtained from oxidation of a 2-hydroxyethylamine moiety on the CBA. The invention also provides methods of preparing the conjugates of the present invention. The invention further provides composition and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the conjugates of the invention.

  该发明涉及一种新型细胞结合剂-细胞毒剂偶联物，其中细胞结合剂（CBA）通过氧化CBA上的2-羟乙胺基团得到的醛基与细胞毒剂共价连接。该发明还提供了制备本发明偶联物的方法。该发明还提供了使用该发明的偶联物抑制异常细胞生长或治疗哺乳动物增生性疾病的组合物和方法。
• IMPROVED METHODS FOR THE ACYLATION OF MAYTANSINOL
  申请人：ImmunoGen, Inc.

  公开号：EP3486248A1

  公开（公告）日：2019-05-22

  Disclosed is a method of preparing an amino acid ester of maytansinol by reacting maytansinol with an N-carboxyanhydride of an amino acid (NCA) in the presence of a drying agent. Also disclosed is an improved method of preparing an amino acid ester of maytansinol in which a nucleophile is added to the reaction mixture after completion of the reaction between maytansinol and an N-carboxyanhydride of an amino acid.

  本发明公开了一种通过在有干燥剂存在的情况下使 maytansinol 与一种氨基酸（NCA）的 N-羧酸酐反应来制备 maytansinol 氨基酸酯的方法。本发明还公开了一种制备麦丹素醇氨基酸酯的改进方法，在该方法中，在麦丹素醇与一种氨基酸的 N-羧基酸酐反应完成后，向反应混合物中加入亲核剂。
• Methods for the acylation of maytansinol
  申请人：IMMUNOGEN, INC.

  公开号：US10461449B2

  公开（公告）日：2019-10-29

  Disclosed is a method of preparing an amino acid ester of maytansinol by reacting maytansinol with an N-carboxyanhydride of an amino acid (NCA) in the presence of a drying agent. Also disclosed is an improved method of preparing an amino acid ester of maytansinol in which a nucleophile is added to the reaction mixture after completion of the reaction between maytansinol and an N-carboxyanhydride of an amino acid.

  本发明公开了一种通过在有干燥剂存在的情况下使 maytansinol 与一种氨基酸（NCA）的 N-羧酸酐反应来制备 maytansinol 氨基酸酯的方法。本发明还公开了一种制备麦丹素醇氨基酸酯的改进方法，在该方法中，在麦丹素醇与一种氨基酸的 N-羧基酸酐反应完成后，向反应混合物中加入亲核剂。
• Maytansinoid derivatives with self-immolative peptide linkers and conjugates thereof
  申请人：IMMUNOGEN, INC.

  公开号：US10792372B2

  公开（公告）日：2020-10-06

  The invention relates to novel cell-binding agent-maytansinoid conjugate having a self-immolative peptide linker and more specifically to conjugates of formula (I). The invention also provides novel maytansinoid compounds of formula (II), (III), (IV) or (V). The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention.

  本发明涉及具有自巯基肽连接体的新型细胞结合剂-maytansinoid 共轭物，更具体地说，涉及式（I）的共轭物。本发明还提供了式 (II)、(III)、(IV) 或 (V) 的新型 maytansinoid 化合物。本发明进一步提供了使用本发明化合物或共轭物抑制哺乳动物异常细胞生长或治疗增殖性疾病的组合物和方法。
• Conjugates comprising cell-binding agents and cytotoxic agents
  申请人：ImmunoGen, Inc.

  公开号：US10988531B2

  公开（公告）日：2021-04-27

  The invention relates to novel cell-binding agent-cytotoxic agent conjugates, wherein the cell-binding agent (CBA) is covalently linked to the cytotoxic agent through an aldehyde group obtained from oxidation of a 2-hydroxyethylamine moiety on the CBA. The invention also provides methods of preparing the conjugates of the present invention. The invention further provides composition and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the conjugates of the invention.

  本发明涉及新型细胞结合剂-细胞毒剂共轭物，其中细胞结合剂（CBA）通过CBA上的2-羟乙基胺氧化得到的醛基与细胞毒剂共价连接。本发明还提供了制备本发明共轭物的方法。本发明进一步提供了使用本发明共轭物抑制哺乳动物异常细胞生长或治疗增殖性疾病的组合物和方法。