(2R)-7-氯-N-[(1,2-二氢-4,6-二甲基-2-氧代-3-吡啶基)甲基]-2-[反式-4-(二甲基氨基)环己基]-2,4-二甲基-1,3-苯并二氧杂环戊-5-甲酰胺 | 1809336-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: (2R)-7-氯-N-[(1,2-二氢-4,6-二甲基-2-氧代-3-吡啶基)甲基]-2-[反式-4-(二甲基氨基)环己基]-2,4-二甲基-1,3-苯并二氧杂环戊-5-甲酰胺
• 英文名称: Valemetostat
• 英文别名: (2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide
• CAS: 1809336-39-7
• 化学式: C₂₆H₃₄ClN₃O₄
• 分子量: 488.0
• InChiKey: SSDRNUPMYCFXGM-ZZHSESOFSA-N

物化性质

• 沸点：
  610.0±55.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

制备方法与用途

生物活性

Valemetostat (DS-3201, DS-3201b)是一种选择性的EZH1/2双重抑制剂。

靶点

Target	Value
EZH1 ()
EZH2 ()

文献信息

• [EN] MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS<br/>[FR] DÉRIVÉS D'AZOLOPYRIDINE MACROCYCLIQUES UTILISÉS EN TANT QUE MODULATEURS EED ET PRC2
  申请人：FULCRUM THERAPEUTICS INC

  公开号：WO2020190754A1

  公开（公告）日：2020-09-24

  The invention relates to modulators of Embryonic Ectoderm Development (EED) and/or Polycomb Repressive Complex 2 (PRC2) useful in the treatment of disorders and diseases associated with EEC and PRC2, being macrocyclic azolopyridine derivatives and compositions thereof of Formula (I), or a pharmaceutically acceptable salt, prodrug, solvate, hydrate, enantiomer, isomer, or tautomer thereof, wherein X1, X2, X3, A1, A2, Y, R1, R2, R3, and R4 are as described herein.

  本发明涉及用于治疗与Embryonic Ectoderm Development (EED)和/或Polycomb Repressive Complex 2 (PRC2)相关的疾病和障碍的调节剂，是式(I)所示的宏环唑啉衍生物及其组合物，或其药用可接受的盐、前药、溶剂化物、水合物、对映体、异构体或互变异构体，其中X1、X2、X3、A1、A2、Y、R1、R2、R3和R4如本文所述。
• [EN] NOVEL DIOXOLOISOQUINOLINONE DERIVATIVES AND USE THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE DIOXOLOISOQUINOLINONE ET LEUR UTILISATION
  申请人：HANMI PHARMACEUTICAL CO LTD

  公开号：WO2022035303A1

  公开（公告）日：2022-02-17

  The present invention relates to novel dioxoisoquinolinone derivative compounds and use thereof. More specifically, the present invention relates to novel dioxoisoquinolinone derivative compounds with inhibition activity of EZH1(Enhancer of zeste homolog 1) and/or EZH2(Enhancer of zeste homolog 2) activity, a pharmaceutically acceptable salt thereof, and/or pharmaceutical compositions comprising the same.

  本发明涉及一种新型的二氧化异喹啉酮衍生物化合物及其应用。更具体地说，本发明涉及一种具有抑制EZH1（增强子齐式同源物1）和/或EZH2（增强子齐式同源物2）活性的新型二氧化异喹啉酮衍生物化合物，其药学上可接受的盐和/或包含它们的制药组合物。
• Agent for treating and/or preventing adult T cell leukemia/lymphoma
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US10434091B2

  公开（公告）日：2019-10-08

  The present invention provides an agent for treating and/or preventing adult T cell leukemia/lymphoma containing a compound having a specific chemical structure or a pharmaceutically acceptable salt thereof. Specifically, the present invention provides an agent for treating and/or preventing adult T cell leukemia/lymphoma containing, as an active ingredient, 7-chloro-2-[trans-4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide or a pharmaceutically acceptable salt thereof, or 7-bromo-2-[trans-4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide or a pharmaceutically acceptable salt thereof.

  本发明提供了一种用于治疗和/或预防成人T细胞白血病/淋巴瘤的药剂，其中包含具有特定化学结构或其药学上可接受的盐的化合物。具体而言，本发明提供了一种用于治疗和/或预防成人T细胞白血病/淋巴瘤的药剂，其包含以下活性成分：7-氯-2-[顺-4-(二甲氨基)环己基]-N-[(4,6-二甲基-2-氧-1,2-二氢吡啶-3-基)甲基]-2,4-二甲基-1,3-苯并二氧杂环戊烷-5-羧酰胺或其药学上可接受的盐，或7-溴-2-[顺-4-(二甲氨基)环己基]-N-[(4,6-二甲基-2-氧-1,2-二氢吡啶-3-基)甲基]-2,4-二甲基-1,3-苯并二氧杂环戊烷-5-羧酰胺或其药学上可接受的盐。
• 1,3-BENZODIOXOLE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3121175A1

  公开（公告）日：2017-01-25

  The present invention provides a compound having a particular chemical structure or a pharmacologically acceptable salt thereof which has an excellent inhibitory effect on EZH1 and/or EZH2 activity. The present invention provides a compound having a 1,3-benzodioxole structure represented by the general formula (I) or a pharmacologically acceptable salt thereof, or a pharmaceutical composition comprising the compound (wherein R1, R2, R3, R4, R5, R6, and V in the formula (I) are each as defined in the present specification).

  本发明提供了一种具有特定化学结构的化合物或其药理学上可接受的盐，该化合物对 EZH1 和/或 EZH2 的活性具有极佳的抑制作用。本发明提供了一种具有通式（I）所代表的 1，3-苯并二恶茂结构的化合物或其药理学上可接受的盐，或包含该化合物的药物组合物（其中式（I）中的 R1、R2、R3、R4、R5、R6 和 V 均如本说明书中所定义）。
• EZH1/2 DUAL INHIBITOR-CONTAINING PHARMACEUTICAL COMPOSITION TO BE USED AS COMBINATION DRUG
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3888647A1

  公开（公告）日：2021-10-06

  An object of the present invention is to provide a combination drug having an EZH1/2 dual inhibitor in combination with another medical agent and exerting an excellent anticancer effect. Provided is a combination drug having an EZH1/2 dual inhibitor in combination with another medical agent and exerting an excellent anticancer effect.

  本发明的目的是提供一种具有 EZH1/2 双抑制剂的复方药物，该药物与另一种医疗制剂联用，可发挥极佳的抗癌效果。本发明提供了一种具有 EZH1/2 双抑制剂的复方药物，该药物与另一种医疗制剂联用，可发挥极佳的抗癌效果。