1-fluoro-2-(methylsulfonyl)-4-nitrobenzene | 914636-41-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-fluoro-2-(methylsulfonyl)-4-nitrobenzene
• 英文别名: 1-Fluoro-2-(methylsulphonyl)-4-nitrobenzene；1-fluoro-2-methylsulfonyl-4-nitrobenzene
• CAS: 914636-41-2
• 化学式: C₇H₆FNO₄S
• mdl: MFCD08458079
• 分子量: 219.193
• InChiKey: KEHWURDASSIIAC-UHFFFAOYSA-N

物化性质

• 沸点：
  396.2±42.0 °C(Predicted)
• 密度：
  1.488±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-fluoro-2-(methylsulfonyl)-4-nitrobenzene 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 2.5h， 生成 N¹-(2-(dimethylamino)ethyl)-N¹-methyl-2-(methylsulfonyl)benzene-1,4-diamine
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  The present disclosure relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods comprising a compound of any one of Formulas (I), (II), (III), and (IV) as further described herein. The compounds are inhibitors of protein kinases associated with cancers, and are thus useful for the treatment and/or prevention of a tumor or cancer.

  公开号：

  WO2023287783A1
• 作为产物：
  描述：

  2-氟苯基甲基砜 在 硫酸 、 potassium nitrate 作用下， 以1.8 g的产率得到1-fluoro-2-(methylsulfonyl)-4-nitrobenzene
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  The present disclosure relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods comprising a compound of any one of Formulas (I), (II), (III), and (IV) as further described herein. The compounds are inhibitors of protein kinases associated with cancers, and are thus useful for the treatment and/or prevention of a tumor or cancer.

  公开号：

  WO2023287783A1

文献信息

• Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors
  作者：William McCoull、Edward J. Hennessy、Kevin Blades、Claudio Chuaqui、James E. Dowling、Andrew D. Ferguson、Frederick W. Goldberg、Nicholas Howe、Christopher R. Jones、Paul D. Kemmitt、Gillian Lamont、Jeffrey G. Varnes、Richard A. Ward、Bin Yang

  DOI：10.1021/acsmedchemlett.6b00322

  日期：2016.12.8

  Group I p21-activated kinase (PAK) inhibitors are indicated as important in cancer progression, but achieving high kinase selectivity has been challenging. A bis-anilino pyrimidine PAK1 inhibitor was identified and optimized through structure-based drug design to improve PAK1 potency and achieve high kinase selectivity, giving in vitro probe compound AZ13705339 (18). Reduction of lipophilicity to lower

  I类p21激活的激酶（PAK）抑制剂在癌症进展中被认为是重要的，但是实现高激酶选择性一直是具有挑战性的。通过基于结构的药物设计，鉴定并优化了双苯胺基嘧啶PAK1抑制剂，以提高PAK1效力并实现高激酶选择性，从而获得了体外探针化合物AZ13705339（18）。亲脂性降低至更低的清除率提供了AZ13711265（14）作为体内探针化合物，可在小鼠中口服。此类探针将允许进一​​步研究PAK1生物学。
• HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS
  申请人：Chuaqui Claudio

  公开号：US20120040951A1

  公开（公告）日：2012-02-16

  The present invention provides compounds of formula (I) useful as inhibitors of Raf protein kinase. The present invention also provides compositions thereof, and methods of treating Raf-mediated diseases.

  本发明提供了式（I）的化合物，可用作Raf蛋白激酶的抑制剂。本发明还提供了其组合物以及治疗Raf介导疾病的方法。
• Development and Utility of a PAK1-Selective Degrader
  作者：Hoi-Yee Chow、Sofiia Karchugina、Brian J. Groendyke、Sean Toenjes、John Hatcher、Katherine A. Donovan、Eric S. Fischer、Gleb Abalakov、Bulat Faezov、Roland Dunbrack、Nathanael S. Gray、Jonathan Chernoff

  DOI：10.1021/acs.jmedchem.2c00756

  日期：2022.12.8
• WO2023/220722
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：[en]ACEA THERAPEUTICS, INC.

  公开号：WO2023287783A1

  公开（公告）日：2023-01-19

  The present disclosure relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods comprising a compound of any one of Formulas (I), (II), (III), and (IV) as further described herein. The compounds are inhibitors of protein kinases associated with cancers, and are thus useful for the treatment and/or prevention of a tumor or cancer.