Hdac inhibitor CHR-3996 | 1256448-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Hdac inhibitor CHR-3996
• 英文别名: 2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
• CAS: 1256448-47-1
• 化学式: C₂₀H₁₉FN₆O₂
• 分子量: 394.4
• InChiKey: QRGHOAATPOLDPF-BYICEURKSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  8

制备方法与用途

生物活性

Nanatinostat (CHR-3996) 是一种有效的、具有口服活性且对 I 类组蛋白去乙酰化酶 (HDAC) 具有选择性的抑制剂，其 IC50 值为 8 nM。

靶点 IC50：8 nM（针对 HDAC）

反应信息

• 作为产物：
  描述：

  N-(1-isobutoxyethoxy)-2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxamide 以19的产率得到Hdac inhibitor CHR-3996
  参考文献：
  名称：

  Histone Deacetylase Inhibitors

  摘要：

  式为(I)的化合物、盐、N-氧化物、水合物和溶剂化物均为组蛋白去乙酰化酶抑制剂，可用于治疗细胞增殖性疾病，包括癌症：(I)其中Q、V和W分别代表—N═或—C═；B是从(IIA)、(IIB)、(IIC)、(IID)和(IIE)中选择的二价基团。其中标记为*的键通过-[连接1]-与含有Q、V和W的环相连，标记为**的键通过-[连接2]-与A相连；A是一个可选取代的单环、双环或三环碳环或杂环系统；-[连接1]-和-[连接2]-分别表示键或二价连接基团。

  公开号：

  US20100152155A1

文献信息

• Histone Deacetylase Inhibitors
  申请人：Moffat David Festus Charles

  公开号：US20100152155A1

  公开（公告）日：2010-06-17

  Compounds of formula: (I), and salts, N-oxides, hydrates and solvates thereof are histone deacetylase inhibitors and are useful in the treatment of cell proliferative diseases, including cancers: (I) wherein Q, V and W independently represent —N═ or —C═; B is a divalent radical selected from: (IIA), (IIB), (IIC), (IID), and (IIE). Wherein the bond marked * is linked to the ring containing Q, V and W through -[Linker1]- and the bond marked ** is linked to A through -[Linker2]-; A is an optionally substituted mono-, bi- or tri-cyclic carbocyclic or heterocyclic ring system; and -[Linker1]- and -[Linker2]- independently represent a bond, or a divalent linker radical.

  式为(I)的化合物、盐、N-氧化物、水合物和溶剂化物均为组蛋白去乙酰化酶抑制剂，可用于治疗细胞增殖性疾病，包括癌症：(I)其中Q、V和W分别代表—N═或—C═；B是从(IIA)、(IIB)、(IIC)、(IID)和(IIE)中选择的二价基团。其中标记为*的键通过-[连接1]-与含有Q、V和W的环相连，标记为**的键通过-[连接2]-与A相连；A是一个可选取代的单环、双环或三环碳环或杂环系统；-[连接1]-和-[连接2]-分别表示键或二价连接基团。
• Methods of treating virally associated cancers with histone deacetylase inhibitors
  申请人：Viracta Therapeutics Inc.

  公开号：US10953011B2

  公开（公告）日：2021-03-23

  Described herein are certain dosing schedules and amounts that effectively prevent and manage side effects associated with histone deacetylase inhibitor (HDACi) treatment. Optionally, these schedules and dosing regimens include treatment with an antiviral agent.

  本文描述的某些给药方案和剂量能有效预防和控制组蛋白去乙酰化酶抑制剂（HDACi）治疗的副作用。可以选择的是，这些计划和给药方案包括抗病毒药物治疗。
• METHODS OF TREATING VIRALLY ASSOCIATED CANCERS WITH HISTONE DEACETYLASE INHIBITORS
  申请人：Viracta Therapeutics Inc.

  公开号：US20200375990A1

  公开（公告）日：2020-12-03

  Described herein are certain dosing schedules and amounts that effectively prevent and manage side effects associated with histone deacetylase inhibitor (HDACi) treatment. Optionally, these schedules and dosing regimens include treatment with an antiviral agent.
• METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES
  申请人：Epizyme, Inc.

  公开号：US20210213014A1

  公开（公告）日：2021-07-15

  The present disclosure relates to methods and compositions for treating immune-mediated diseases. In some aspects, the disclosure relates to methods for treating immune-mediated diseases by administering an EHMT2 inhibitor in combination with one or more treatment modalities (e.g. one or more therapeutic agents). In some aspects the immune-mediated disease is rheumatoid arthritis, multiple sclerosis, psoriasis, a psoriatic disorder, psoriatic arthritis, or an inflammatory bowel disease.
• J. Med. Chem. 2010, 53, 8663-8678
  作者：

  DOI：——

  日期：——