6-(3,5-dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one | 1801503-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 6-(3,5-dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one
• 英文别名: Odm-207；6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
• CAS: 1801503-93-4
• 化学式: C₂₂H₂₁N₃O₃
• 分子量: 375.427
• InChiKey: YVGWSVHZXWFLIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  68.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴-3-甲氧基苯胺 在 四(三苯基膦)钯 、 四丁基溴化铵 、 potassium carbonate 、 溶剂黄146 、 potassium hydroxide 、 三氯氧磷 作用下， 以 水 、 甲苯 、 乙腈 为溶剂， 反应 23.0h， 生成 6-(3,5-dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one
  参考文献：
  名称：

  [EN] CRYSTALLINE FORM OF A BET-INHIBITOR AND MANUFACTURE THEREOF
  [FR] FORME CRISTALLINE D'UN INHIBITEUR BET ET SA FABRICATION

  摘要：

  本发明涉及6-(3,5-二甲基异噁唑-4-基)-7-甲氧基-3-甲基-1-(吡啶-2-基甲基)喹啉-2(1H)-酮的结晶形式1（I），以及其制备方法。化合物（I）是一种对治疗癌症有用的BET抑制剂。

  公开号：

  WO2020208307A1

文献信息

• [EN] BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS BICYCLIQUES HÉTÉROCYCLIQUES COMME INHIBITEURS DE BROMODOMAINES
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015104653A1

  公开（公告）日：2015-07-16

  The present invention provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R1, R2, R3, R4, L1, L2, Cy1, Cy2, X, n and dotted line are have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in diseases or disorder associated as bromodomain inhibitors. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的双环杂环衍生物，可能在治疗上有用，更具体地作为溴结构域抑制剂；其中R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线在说明书中具有相同的含义，并且其药学上可接受的盐或药学上可接受的立体异构体在治疗和预防疾病或紊乱方面有用，特别是它们在作为溴结构域抑制剂相关的疾病或紊乱中的使用。本发明还提供了该类化合物的制备以及包含至少一种公式（I）的双环杂环衍生物的药物配方，连同药学上可接受的载体、稀释剂或赋形剂。
• BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：ORION CORPORATION

  公开号：US20160368906A1

  公开（公告）日：2016-12-22

  The present disclosure provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R 1 , R 2 , R 3 , R 4 , L 1 , L 2 , Cy 1 , Cy 2 , X, n, and dotted line have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in diseases or disorders associated as bromodomain inhibitors. The present disclosure also provides preparation of compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent, or excipient.

  本公开提供了公式（I）的双环杂环衍生物，可能在治疗上有用，更具体地作为溴结构域抑制剂；（I）中，R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线具有规范中给定的相同含义，以及其在治疗和预防疾病或疾病中有用，特别是在与溴结构域抑制剂相关的疾病或疾病中的使用。本公开还提供了制备化合物和包括至少一种公式（I）的双环杂环衍生物的药物配方，以及药学上可接受的载体、稀释剂或赋形剂。
• Bicyclic heterocyclic derivatives as bromodomain inhibitors
  申请人：Orion Corporation

  公开号：US10077259B2

  公开（公告）日：2018-09-18

  The present disclosure provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R1, R2, R3, R4, L1, L2, Cy1, Cy2, X, n, and dotted line have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in diseases or disorders associated as bromodomain inhibitors. The present disclosure also provides preparation of compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent, or excipient.

  本公开提供了式(I)的双环杂环衍生物，其可用于治疗，更特别是作为溴结构域抑制剂；(I)中的R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线具有说明书中给出的相同含义，以及其药学上可接受的盐或药学上可接受的立体异构体，其可用于治疗和预防疾病或紊乱，特别是其在作为溴结构域抑制剂相关疾病或紊乱中的用途。本公开还提供了包含至少一种式（I）双环杂环衍生物以及药学上可接受的载体、稀释剂或赋形剂的化合物和药物制剂的制备方法。
• CRYSTALLINE FORM OF A BET-INHIBITOR AND MANUFACTURE THEREOF
  申请人：ORION CORPORATION

  公开号：US20220204493A1

  公开（公告）日：2022-06-30

  The present invention relates to crystalline form 1 of 6-(3, 5-dimethylisoxazol-4-yl)-7-methoxy-3-methyl-1-(pyridin-2-ylmethyl)quinolin-2(1H)-one (I) and to a method of manufacture thereof. Compound (I) is a BET inhibitor useful in the treatment of cancer.