2,3-dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]benzenesulfonamide

• 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: 2,3-dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]benzenesulfonamide
• 英文别名: 2,3-Dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-benzenesulfonamide；2,3-dichloro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-fluorophenyl]-benzenesulfon-amide；2,3-Dichloro-N-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide；2,3-dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
• 化学式: C₁₈H₁₉BCl₂FNO₄S
• 分子量: 446.135
• InChiKey: AWWUPFQKQTVBQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]benzenesulfonamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 caesium carbonate 、 肼 作用下， 以 1,4-二氧六环 、 水 、 异丙醇 为溶剂， 反应 0.33h， 生成 2,3-dichloro-N-[2-fluoro-4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide trifluoroacetate
  参考文献：
  名称：

  N- [4-（1H-吡唑并[3,4-b]吡嗪-6-基）-苯基]-磺酰胺作为高活性和选择性SGK1抑制剂的发现。

  摘要：

  从虚拟筛选的起点出发，通过结合经典药物化学和文库方法开发了血清和糖皮质激素调节激酶1抑制剂。这产生了具有纳摩尔活性并具有良好的整体体外和ADME谱的高活性小分子。此外，由于其刚性结构，这些化合物显示出异常高的激酶和脱靶选择性。

  DOI：

  10.1021/ml5003376
• 作为产物：
  描述：

  2-氟-4-碘苯胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 作用下， 以 吡啶 、 二甲基亚砜 为溶剂， 反应 22.5h， 生成 2,3-dichloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]benzenesulfonamide
  参考文献：
  名称：

  ARYLSULFONAMIDE PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION OF SAME, AND THERAPEUTIC USE THEREOF

  摘要：

  该发明涉及吡啶-吡啉酮衍生物的一般公式（I）：其中R1、R2、R3、R4、n、n'、V、W、Y、Z、Ar如描述中所定义，并涉及它们的制备方法及其治疗应用。

  公开号：

  US20130178472A1

文献信息

• Substituted sulphoximines as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising the same, methods of preparing the same and uses of the same
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1878726A1

  公开（公告）日：2008-01-16

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R1, R2, R3, R4, R5, R6, R7, R8, m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  该发明涉及通式（I）所示的取代磺酰羟肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求中给出，以及其盐，包括所述取代磺酰羟肟化合物的药物组合物，制备所述取代磺酰羟肟化合物的方法以及将其用于制造用于治疗血管生长失调疾病或伴随血管生长失调的疾病的药物组合物，其中这些化合物有效干扰Tie2信号传导。
• SUBSTITUTED SULPHOXIMINES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20080064696A1

  公开（公告）日：2008-03-13

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式（I）的取代磺酰肟化合物，其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求书中给出，以及其盐，制备该取代磺酰肟化合物的方法，以及将其用于制造用于治疗失调血管生长疾病或伴随失调血管生长的疾病的药物组合物，其中该化合物有效地干扰Tie2信号传导。
• Substituted sulphoximines as TIE2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same
  申请人：Bayer Schering Pharma AG

  公开号：US08003655B2

  公开（公告）日：2011-08-23

  The invention relates to substituted sulphoximines according to the general formula (I): in which A, E, G, X, R1, R2, R3, R4, R5, R6, R7, R8, m, p, q, are given in the claims, and salts thereof, to pharmaceutical compositions comprising said substituted sulphoximines, to methods of preparing said substituted sulphoximines as well as the use thereof for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth, wherein the compounds effectively interfere with Tie2 signalling.

  本发明涉及通式(I)的替代硫氧亚胺化合物： 其中A、E、G、X、R1、R2、R3、R4、R5、R6、R7、R8、m、p、q在权利要求书中给出，并且其盐，以及包含所述替代硫氧亚胺化合物的制药组合物，制备所述替代硫氧亚胺化合物的方法以及其用于制造用于治疗失调的血管生长或伴随失调的血管生长的疾病的制药组合物的用途，其中所述化合物有效地干扰Tie2信号传递。
• Discovery of <i>N</i>-[4-(1<i>H</i>-Pyrazolo[3,4-<i>b</i>]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors
  作者：Nis Halland、Friedemann Schmidt、Tilo Weiss、Joachim Saas、Ziyu Li、Jörg Czech、Matthias Dreyer、Armin Hofmeister、Katharina Mertsch、Uwe Dietz、Carsten Strübing、Marc Nazare

  DOI：10.1021/ml5003376

  日期：2015.1.8

  From a virtual screening starting point, inhibitors of the serum and glucocorticoid regulated kinase 1 were developed through a combination of classical medicinal chemistry and library approaches. This resulted in highly active small molecules with nanomolar activity and a good overall in vitro and ADME profile. Furthermore, the compounds exhibited unusually high kinase and off-target selectivity due

  从虚拟筛选的起点出发，通过结合经典药物化学和文库方法开发了血清和糖皮质激素调节激酶1抑制剂。这产生了具有纳摩尔活性并具有良好的整体体外和ADME谱的高活性小分子。此外，由于其刚性结构，这些化合物显示出异常高的激酶和脱靶选择性。
• ARYLSULFONAMIDE PYRIDINE-PYRIDINONE DERIVATIVES, PREPARATION OF SAME, AND THERAPEUTIC USE THEREOF
  申请人：BELLEVERGUE Patrice

  公开号：US20130178472A1

  公开（公告）日：2013-07-11

  The invention relates to pyridine-pyridinone derivatives general formula (I): in which R1, R2, R3, R4, n, n′, V, W, Y, Z, Ar are as defined in the description, and to their methods of preparation and their therapeutic applications.

  该发明涉及吡啶-吡啉酮衍生物的一般公式（I）：其中R1、R2、R3、R4、n、n'、V、W、Y、Z、Ar如描述中所定义，并涉及它们的制备方法及其治疗应用。