6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenoxy)-1H-pyrazolo[3,4-b]pyridine | 1227089-80-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenoxy)-1H-pyrazolo[3,4-b]pyridine
• 英文别名: 6-(1H-indazol-4-yl)-1-methyl-4-(4-methylsulfonylphenoxy)pyrazolo[3,4-b]pyridine
• CAS: 1227089-80-6
• 化学式: C₂₁H₁₇N₅O₃S
• 分子量: 419.464
• InChiKey: DSBJBOOMYLWTSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲基磺酰苯酚 、 4-chloro-6-(1H-indazol-4-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenoxy)-1H-pyrazolo[3,4-b]pyridine
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  [FR] COMPOSÉS INHIBITEURS DE PI3K DE TYPE PYRAZOLOPYRIDINE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公式(I)的化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢产物及其药用盐，用于抑制脂质激酶包括p110α和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症或炎症等疾病。公开了使用公式(I)的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病，或相关病理状况的方法。

  公开号：

  WO2010059788A1

文献信息

• PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Dotson Jennafer

  公开号：US20120035208A1

  公开（公告）日：2012-02-09

  Compounds of Formula (I), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer or inflammation mediated by lipid kinases. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  具有化学式（I）的化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和药学上可接受的盐，对于抑制脂质激酶包括p110α和其他PI3K同源物的活性非常有用，用于治疗由脂质激酶介导的癌症或炎症等疾病。本文披露了使用化合物（I）进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这些疾病，或相关病理条件的方法。
• Pyrazolopyridine PI3K inhibitor compounds and methods of use
  申请人：Dotson Jennafer

  公开号：US08653098B2

  公开（公告）日：2014-02-18

  Compounds of Formula (I), and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer or inflammation mediated by lipid kinases. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式（I）的化合物，包括立体异构体，几何异构体，互变异构体，溶剂化物，代谢产物和其药学上可接受的盐，用于抑制脂质激酶，包括p110α和其他PI3K的亚型，并用于治疗由脂质激酶介导的癌症或炎症等疾病。公开了使用公式（I）的化合物在哺乳动物细胞中进行体外，原位和体内诊断，预防或治疗此类疾病或相关病理条件的方法。
• Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase
  作者：Steven T. Staben、Timothy P. Heffron、Daniel P. Sutherlin、Seema R. Bhat、Georgette M. Castanedo、Irina S. Chuckowree、Jenna Dotson、Adrian J. Folkes、Lori S. Friedman、Leslie Lee、John Lesnick、Cristina Lewis、Jeremy M. Murray、Jim Nonomiya、Alan G. Olivero、Emile Plise、Jodie Pang、Wei Wei Prior、Laurent Salphati、Lionel Rouge、Deepak Sampath、Vickie Tsui、Nan Chi Wan、Shumei Wang、Christian Weismann、Ping Wu、Bing-Yan Zhu

  DOI：10.1016/j.bmcl.2010.08.067

  日期：2010.10

  Starting from HTS hit 1a, X-ray co-crystallization and molecular modeling were used to design potent and selective inhibitors of PI3-kinase. Bioavailablity in this series was improved through careful modulation of physicochemical properties. Compound 12 displayed in vivo knockdown of PI3K pharmacodynamic markers such as pAKT, pPRAS40, and pS6RP in a PC3 prostate cancer xenograft model.
• US8653098B2
  申请人：——

  公开号：US8653098B2

  公开（公告）日：2014-02-18
• [EN] PIK3/P110a INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING<br/>[FR] INHIBITEURS DE PIK3/P110? POUR LA PRÉVENTION DE LA RESTÉNOSE PAR APPLICATION SOUS LA FORME D'UN REVÊTEMENT POUR IMPLANT
  申请人：UNIV ZUERICH

  公开号：WO2012156379A1

  公开（公告）日：2012-11-22

  The invention relates to medical implant having a basic body comprising an inhibitor of p110α incorporated into or coated onto the basic body. As inhibitor, N-[(6-bromoimidazo[1,2-a]pyridin-3-yl) methyleneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide is preferred. The invention further relates to a coating of an implant, and a second indication medical use of N-[(6-bromoimidazo[1,2-a]pyridin-3-yl) methyleneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide for the prevention of restenosis as a coating on medical implants.