[(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-[methyl-[2-[methyl(3-sulfanylpropanoyl)amino]propanoyl]amino]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-[methyl-[2-[methyl(3-sulfanylpropanoyl)amino]propanoyl]amino]propanoate
• 化学式: C₃₉H₅₅ClN₄O₁₁S
• 分子量: 823.4
• InChiKey: IJNORFLILQROGM-QLCGXXCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• 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。
• IMPROVED METHODS FOR THE ACYLATION OF MAYTANSINOL
  申请人：ImmunoGen, Inc.

  公开号：EP3486248B1

  公开（公告）日：2021-04-07
• METHODS FOR THE ACYLATION OF MAYTANSINOL
  申请人：Widdison Wayne C.

  公开号：US20140142297A1

  公开（公告）日：2014-05-22

  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.
• US9012629B2
  申请人：——

  公开号：US9012629B2

  公开（公告）日：2015-04-21
• US9469655B2
  申请人：——

  公开号：US9469655B2

  公开（公告）日：2016-10-18