1-(甲磺酰基甲基)-4-(四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吡唑 | 1282530-99-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 1-(甲磺酰基甲基)-4-(四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吡唑
• 英文名称: 1-((methyl sulfonyl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• 英文别名: 1-(methanesulfonylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole；1-(methylsulfonylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• CAS: 1282530-99-7
• 化学式: C₁₁H₁₉BN₂O₄S
• 分子量: 286.16
• InChiKey: HHCTVKKVTRICQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(甲磺酰基甲基)-4-(四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吡唑 、 N-(5-((2-(2-azabicyclo[2.2.2]octan-2-yl)ethyl)carbamoyl)-2-methylpyridin-3-yl)-2-bromopyrazolo[5,1-b]thiazole-7-carboxamide 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 生成 N-(5-((2-(2-azabicyclo[2.2.2]octan-2-yl)ethyl)carbamoyl)-2-methylpyridin-3-yl)-2-(1-((methylsulfonyl)methyl)-1H-pyrazol-4-yl)pyrazolo[5,1-b]thiazole-7-carboxamide
  参考文献：
  名称：

  [EN] PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS
  [FR] PYRAZOLOTHIAZOLE CARBOXAMIDES ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE PDGFR

  摘要：

  本公开涉及式(I)的化合物及其药学上可接受的盐。还描述了包含式(I)化合物的制药组合物，以及它们的使用和制备方法。

  公开号：

  WO2022136509A1

文献信息

• BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20140135308A1

  公开（公告）日：2014-05-15

  Benzoxepin compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z 1 is CR 1 or N; Z 2 is CR 2 or N; Z 3 is CR 3 or N; Z 4 is CR 4 or N; and where (i) X 1 is N and X 2 is S, (ii) X 1 is S and X 2 is N, (iii) X 1 is CR 7 and X 2 is S, (iv) X 1 is S and X 2 is CR 7 ; (v) X 1 is NR 8 and X 2 is N, (vi) X 1 is N and X 2 is NR 8 , (vii) X 1 is CR 7 and X 2 is O, (viii) X 1 is O and X 2 is CR 7 , (ix) X 1 is CR 7 and X 2 is C(R 7 ) 2 , (x) X 1 is C(R 7 ) 2 and X 2 is CR 7 ; (xi) X 1 is N and X 2 is O, or (xii) X 1 is O and X 2 is N, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer 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中的苯并噁唑化合物，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，其中：Z1为CR1或N；Z2为CR2或N；Z3为CR3或N；Z4为CR4或N；当（i）X1为N且X2为S，（ii）X1为S且X2为N，（iii）X1为CR7且X2为S，（iv）X1为S且X2为CR7；（v）X1为NR8且X2为N，（vi）X1为N且X2为NR8，（vii）X1为CR7且X2为O，（viii）X1为O且X2为CR7，（ix）X1为CR7且X2为C（R7）2，（x）X1为C（R7）2且X2为CR7；（xi）X1为N且X2为O，或（xii）X1为O且X2为N，对于抑制脂质激酶包括p110 alpha和其他PI3K的亚型以及治疗由脂质激酶介导的癌症等疾病有用。公开了使用公式I化合物的方法，用于哺乳动物细胞中的体外、原位和体内诊断、预防或治疗此类疾病或相关病理条件。
• Benzoxepin PI3K inhibitor compounds and methods of use
  申请人：Blaquiere Nicole

  公开号：US08673952B2

  公开（公告）日：2014-03-18

  Benzoxepin 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 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中的苯并噁啉化合物，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等疾病。公开了使用公式I中的化合物进行体外，体内诊断，预防或治疗哺乳动物细胞中的这种疾病或相关病理条件的方法。
• [EN] PYRROLOPYRIDONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRROLOPYRIDONE UTILES DANS LE TRAITEMENT DU CANCER
  申请人：[en]TAY THERAPEUTICS LIMITED

  公开号：WO2023275542A1

  公开（公告）日：2023-01-05

  This invention relates to compounds comprising a pyrrolopyridone core, and pharmaceutically-acceptable salts and compositions of such compounds. The compounds herein are useful as anti-inflammatory and/or other therapies.