S-(E)-4-((7S,10S)-4,4,7-trimethyl-2,5,8,12-tetraoxo-9,16-dioxa-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl)but-3-enyloctanethioate | 1351479-98-5

• 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: S-(E)-4-((7S,10S)-4,4,7-trimethyl-2,5,8,12-tetraoxo-9,16-dioxa-3,6,13,18-tetraazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl)but-3-enyloctanethioate
• 英文别名: S-[(E)-4-[(7S,10S)-4,4,7-trimethyl-2,5,8,12-tetraoxo-9,16-dioxa-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-dien-10-yl]but-3-enyl] octanethioate
• CAS: 1351479-98-5
• 化学式: C₂₇H₄₀N₄O₇S
• 分子量: 564.703
• InChiKey: NWQYEUMKLJLYRB-GMIBQGTOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  182
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• [EN] MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES<br/>[FR] COMPOSÉS MACROCYCLIQUES UTILES COMME INHIBITEURS DES HISTONES DÉACÉTYLASES
  申请人：UNIV COLORADO

  公开号：WO2011150283A1

  公开（公告）日：2011-12-01

  The present invention provides a novel macrocyclic compound of general Formula (I) having histone deacetylase (HDAC) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）抑制活性的新型大环化合物，一种包含该化合物的药物组合物，以及一种利用该化合物治疗疾病的方法。
• Macrocyclic Compounds Useful as Inhibitors of Histone Deacetylases
  申请人：The Regents of the University of Colorado, A Body Corporate

  公开号：US20150010541A1

  公开（公告）日：2015-01-08

  The present invention provides a novel macrocyclic compound of general Formula (I) having histone deacetylase (HDAC) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）抑制活性的新型大环化合物，其化学式为（I），以及包含该化合物的药物组合物，以及使用该化合物治疗疾病的有用方法。
• Process for the preparation of cyclic depsipeptides
  申请人：ONKURE, INC.

  公开号：US10689419B2

  公开（公告）日：2020-06-23

  Processes for preparing compounds of Formula (1) and Formula (2) are described, wherein X, Y, Z, R1-R7, L and n are defined herein. Intermediates useful in the preparation of the compounds of Formula (1) and Formula (2) are also described.

  描述了制备式（1）和式（2）化合物的工艺，其中 X、Y、Z、R1-R7、L 和 n 在本文中定义。还描述了用于制备式（1）和式（2）化合物的中间体。
• MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASES
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：EP2575467B1

  公开（公告）日：2016-07-06
• Process for the Preparation of Cyclic Depsipeptides
  申请人：ONKURE, INC.

  公开号：US20170183382A1

  公开（公告）日：2017-06-29

  Processes for preparing compounds of Formula (1) and Formula (2) are described, wherein X, Y, Z, R 1 -R 7 , L and n are defined herein. Intermediates useful in the preparation of the compounds of Formula (1) and Formula (2) are also described.