4-氟-6-甲基-1H-吲唑 | 885522-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 4-氟-6-甲基-1H-吲唑
• 英文名称: 4-Fluoro-6-methyl-1H-indazole
• CAS: 885522-09-8
• 化学式: C₈H₇FN₂
• mdl: MFCD07781513
• 分子量: 150.15
• InChiKey: OTGJUTKIPURIBB-UHFFFAOYSA-N

物化性质

• 沸点：
  290.3±20.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150210687A1

  公开（公告）日：2015-07-30

  The present invention relates to compounds according to Formula I and pharmaceutically acceptable salts or solvates thereof. Such compounds can be used in the treatment of RORgammaT-mediated diseases or conditions.

  本发明涉及按照式I的化合物及其药用可接受盐或溶剂。这些化合物可用于治疗RORgammaT介导的疾病或症状。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：INTELLIKINE LLC

  公开号：US20140296207A1

  公开（公告）日：2014-10-02

  Heterocyclic entities that modulate PI3 kinase activity, pharmaceutical compositions containing the isoquinolone entities, and methods of using these chemical entities for treating diseases and conditions associated with P13 kinase activity are described herein.

  本文描述了调节PI3激酶活性的杂环化合物、包含异喹啉类化合物的制药组合物以及使用这些化合物治疗与PI3激酶活性相关的疾病和病状的方法。
• CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20140088099A1

  公开（公告）日：2014-03-27

  Chemical compounds that modulate kinase activity, including PI3 kinase activity, and chemical compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including P13 kinase activity, are described herein.

  本文描述了调节激酶活性的化合物，包括PI3激酶活性的化合物，以及与激酶活性相关的疾病和病况的化学化合物、制药组合物和治疗方法，其中包括P13激酶活性。
• CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS
  申请人：INTELLIKINE LLC

  公开号：US20140206684A1

  公开（公告）日：2014-07-24

  Chemical entities that modulate PI3 kinase activity, and chemical entities, pharmaceutical compositions, and methods of treatments of diseases and conditions associated with P13 kinase activity are described herein.

  本文描述了调节PI3激酶活性的化学实体，以及与PI3激酶活性相关的疾病和病状的化学实体、药物组合物和治疗方法。
• PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES
  申请人：Intellikine, LLC

  公开号：EP3150609A1

  公开（公告）日：2017-04-05

  A process for preparing a compound of formula: wherein R3 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, heterocycloalkyl, alkoxy, amido, amino, alkoxycarbonyl sulfonamido, halo, cyano, hydroxy or nitro, comprising reacting a compound of formula: with a compound of formula: in the presence of a base. The THP group may be removed with acid to make chemical entities that modulate PI3 kinase activity for treating diseases and conditions associated with PI3 kinase activity and/or formulated into pharmaceutical compositions containing such chemical entities.

  一种制备式化合物的工艺： 其中 R3 为氢、烷基、烯基、炔基、环烷基、杂环烷基、烷氧基、氨基、氨基、烷氧羰基磺酰胺基、卤代、氰基、羟基或硝基，包括将式： 与式 的化合物在碱存在下进行反应。THP基团可以用酸去除，制成调节PI3激酶活性的化学实体，用于治疗与PI3激酶活性相关的疾病和病症，和/或配制成含有此类化学实体的药物组合物。