6-(tert-butyl)-8-fluoroisoquinolin-1(2H)-one | 1423130-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-(tert-butyl)-8-fluoroisoquinolin-1(2H)-one
• 英文别名: 6-tert-butyl-8-fluoro-2H-isoquinolin-1-one
• CAS: 1423130-34-0
• 化学式: C₁₃H₁₄FNO
• 分子量: 219.259
• InChiKey: VSQFEZDADOUXQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(tert-butyl)-8-fluoroisoquinolin-1(2H)-one 在 吡啶 、 sodium tetrahydroborate 、 copper(l) iodide 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 50.0h， 生成 2-chloro-6-[6-(tert-butyl)-8-fluoro-1-oxoisoquinolin-2(1H)-yl ]benzyl acetate
  参考文献：
  名称：

  신규 트리아진 유도체

  摘要：

  The purpose of the present invention is to provide a triazine derivative represented by the following chemical formula (I) and its pharmaceutically acceptable salts: In the above formula, R represents a substituted or unsubstituted lower alkyl group, R represents a hydrogen atom or a substituted or unsubstituted lower alkyl group, A represents a nitrogen atom or C-R, R represents a hydrogen atom, cyano group, substituted or unsubstituted acyl group, substituted or unsubstituted sulfonyl group, or substituted or unsubstituted carbamoyl group, and R represents a substituted or unsubstituted lower alkyl group or a substituted or unsubstituted cycloalkyl group.

  公开号：

  KR20160041946A
• 作为产物：
  描述：

  6-tert-butyl-8-fluoro-2H-isoquinolin-1-one, potassium salt 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以93%的产率得到6-(tert-butyl)-8-fluoroisoquinolin-1(2H)-one
  参考文献：
  名称：

  [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE
  [FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON

  摘要：

  该应用程序根据通用公式I披露化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与过度Btk活性相关的疾病有用。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了含有公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。

  公开号：

  WO2013024078A1

文献信息

• NOVEL TRIAZINE DERIVATIVE
  申请人：CARNA BIOSCIENCE, INC.

  公开号：US20160168122A1

  公开（公告）日：2016-06-16

  The purpose of the present invention is to provide a novel triazine derivative of the formula (I): wherein R 1 represents a substituted or unsubstituted lower alkyl group, R 2 represents a hydrogen atom or a substituted or unsubstituted lower alkyl group, A represents a nitrogen atom or C—R 3 , R 3 represents a hydrogen atom, a cyano group, a substituted or unsubstituted acyl group, a substituted or unsubstituted sulfonyl group, or a substituted or unsubstituted carbamoyl group, and R 4 represents a substituted or unsubstituted lower alkyl group, or a substituted or unsubstituted cycloalkyl group, or a pharmaceutically acceptable salt thereof.

  本发明的目的是提供一种新颖的三嗪衍生物，其化学式为（I）： 其中 R1代表取代或未取代的较低烷基基团， R2代表氢原子或取代或未取代的较低烷基基团， A代表氮原子或C—R3， R3代表氢原子、氰基、取代或未取代的酰基、取代或未取代的磺酰基或取代或未取代的氨基甲酰基，以及 R4代表取代或未取代的较低烷基基团， 或取代或未取代的环烷基基团， 或其药学上可接受的盐。
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：Brotherton-Pleiss Christine E.

  公开号：US20130045965A1

  公开（公告）日：2013-02-21

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation, such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  本申请公开了通用式I所示的化合物：其中变量如本文所述，并抑制Btk。本文所披露的化合物有助于调节Btk的活性并治疗与过度Btk活性相关的疾病。此外，这些化合物还有助于治疗与异常B细胞增殖相关的炎症和自身免疫性疾病，如类风湿性关节炎。还披露了含有通用式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• Inhibitors of bruton'S tyrosine kinase
  申请人：Brotherton-Pleiss Christine E.

  公开号：US08889682B2

  公开（公告）日：2014-11-18

  This application discloses compounds according to generic Formula I: wherein the variables are defined as described herein, and which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation, such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  本申请公开了按通用公式I定义的化合物：其中变量如本文所述，并且抑制Btk。本文所披露的化合物对调节Btk的活性和治疗与过度Btk活性相关的疾病有用。这些化合物还有助于治疗与异常B细胞增殖相关的炎症和自身免疫性疾病，如类风湿性关节炎。此外，还披露了包含公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。
• Indazole and azaindazole Btk inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10246457B2

  公开（公告）日：2019-04-02

  The present invention provides Bruton's Tyrosine Kinase (Btk) inhibitor compounds according to Formula (I), or pharmaceutically acceptable salts thereof, wherein X1, X2, R1, R7, R8 and R9 are as herein described. The present invention also provides pharmaceutical compositions comprising these compounds and methods for their use in therapy. In particular, the present invention relates to the use of Btk inhibitor compounds of Formula (I) in the treatment of Btk mediated disorders.

  本发明提供了符合式（I）的布鲁顿酪氨酸激酶（Btk）抑制剂化合物或其药学上可接受的盐，其中X1、X2、R1、R7、R8和R9如本文所述。本发明还提供了包含这些化合物的药物组合物及其用于治疗的方法。特别是，本发明涉及式（I）的Btk抑制剂化合物在治疗Btk介导的疾病中的用途。
• INDAZOLE AND AZAINDAZOLE BTK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3280419A1

  公开（公告）日：2018-02-14