2-异丙氧基吡啶-3-硼酸频哪酯 | 848243-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-异丙氧基吡啶-3-硼酸频哪酯
• 中文别名: 2-异丙氧基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼戊环-2-基)吡啶；2-异丙氧基吡啶-3-硼酸频哪醇酯；2-异丙氧基-3-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶
• 英文名称: 2-Isopropoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 英文别名: 2-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 848243-25-4
• 化学式: C₁₄H₂₂BNO₃
• mdl: MFCD07366722
• 分子量: 263.14
• InChiKey: DLFPLUKZBSELRD-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  按规定使用和贮存的不会分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.642
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S36
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H319

反应信息

• 作为反应物：
  描述：

  9-bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene 、 2-异丙氧基吡啶-3-硼酸频哪酯 以to give 239 (0.102 g, 59%)的产率得到9-(2-isopropoxy-pyridin-3-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene
  参考文献：
  名称：

  BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  公式I中的苯并噻吩化合物，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，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有用。本文还公开了使用公式I化合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。

  公开号：

  US20110076291A1

文献信息

• Benzoxepin PI3K inhibitor compounds and methods of use
  申请人：F. Hoffman-La Roche AG

  公开号：US08263633B2

  公开（公告）日：2012-09-11

  Benzoxepin compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, wherein: Z1 is CR1 or N; Z2 is CR2 or N; Z3 is CR3 or N; Z4 is CR4 or N; and where (i) X1 is N and X2 is S, (ii) X1 is S and X2 is N, (iii) X1 is CR7 and X2 is S, (iv) X1 is S and X2 is CR7; (v) X1 is NR8 and X2 is N, (vi) X1 is N and X2 is NR8, (vii) X1 is CR7 and X2 is O, (viii) X1 is O and X2 is CR7, (ix) X1 is CR7 and X2 is C(R7)2, (x) X1 is C(R7)2 and X2 is CR7; (xi) X1 is N and X2 is O, or (xii) X1 is O and X2 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；其中（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是有用的。公式I化合物的使用方法，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，或相关的病理条件。
• 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS
  申请人：Bissantz Caterina

  公开号：US20120232051A1

  公开（公告）日：2012-09-13

  This invention relates to novel 3-aminopyridines of the formula wherein B 1 , B 2 and R 1 to R 6 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are GPBAR1 agonists and can be used as medicaments for the treatment of diseases such as type II diabetes.

  本发明涉及一种新型的3-氨基吡啶，其化学式如下：其中B1、B2和R1至R6在说明书和权利要求书中定义，以及其药学上可接受的盐。这些化合物是GPBAR1激动剂，可用作治疗2型糖尿病等疾病的药物。
• 3-amino-pyridines as GPBAR1 agonists
  申请人：Bissantz Caterina

  公开号：US08987307B2

  公开（公告）日：2015-03-24

  This invention relates to novel 3-aminopyridines of the formula wherein B1, B2 and R1 to R6 are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds are GPBAR1 agonists and can be used as medicaments for the treatment of diseases such as type II diabetes.

  本发明涉及一种新型的3-氨基吡啶的公式，其中B1、B2和R1至R6如说明书和权利要求中所定义，以及其药学上可接受的盐。这些化合物是GPBAR1激动剂，可用作治疗诸如2型糖尿病等疾病的药物。
• BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Blaquiere Nicole

  公开号：US20110076291A1

  公开（公告）日：2011-03-31

  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中的苯并噻吩化合物，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，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有用。本文还公开了使用公式I化合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理条件的方法。