N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea | 939807-34-8

• 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: N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
• 英文别名: 1-[2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-3-(2-fluoro-5-trifluoromethyl-phenyl)-urea；1-[2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
• CAS: 939807-34-8
• 化学式: C₂₀H₂₀BF₅N₂O₃
• mdl: MFCD25953503
• 分子量: 442.193
• InChiKey: CTZMDLMDQZZFRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.93
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea 、 tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate 在 bis-triphenylphosphine-palladium(II) chloride sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 17.5h， 以46%的产率得到tert-butyl 4-(4-amino-5-3-fluoro-4-[([2-fluoro-5-(trifluoromethyl)phenyl]aminocarbonyl)amino]phenylpyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2007/64931

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氟-5-三氟甲基苯胺 、 4-氨基-3-氟苯硼酸频那醇酯 在 三乙胺 作用下， 以 DCM 、 二氯甲烷 为溶剂， 反应 2.33h， 以34%的产率得到N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  参考文献：
  名称：

  Substituted sulphoximines as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising the same, methods of preparing the same and uses of the same

  摘要：

  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。

  公开号：

  EP1878726A1

文献信息

• Sulfonamido-macrocycles as Tie2 inhibitors and the salts thereof, a pharmaceutical composition comprising these compounds, the method of preparing and the use thereof
  申请人：Kettschau Georg

  公开号：US20060194823A1

  公开（公告）日：2006-08-31

  The invention relates to sulfonamido-macrocycles according to the general Formula I and the salts thereof, to pharmaceutical compositions comprising the sulfonamido-macrocycles and to a method of preparing the sulfonamido-macrocycles 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 angiopoietin and therefore influence Tie2 signalling. wherein R 1 , R 2 , R 4 , A, X, Y, Z and m have the meaning as given in the specification and the claims.

  该发明涉及一般式I所示的磺胺基-大环化合物及其盐，包括含有磺胺基-大环化合物的药物组合物，以及制备磺胺基-大环化合物的方法，以及用于制造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的用途，其中这些化合物有效地干扰血管生成素，从而影响Tie2信号传导，其中R1、R2、R4、A、X、Y、Z和m的含义如规范和权利要求中所示。
• 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。
• 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same.
  申请人：HARTUNG Ingo

  公开号：US20090062273A1

  公开（公告）日：2009-03-05

  The invention relates to 3-H-pyrazolopyridines according to the general formula (I): in which A, B, D, E, R a , R 1 , R 2 , R 3 , R 4 , R 5 and q are as defined in the claims, and salts, N-oxides, solvates and prodrugs thereof, to pharmaceutical compositions comprising said 3-H-pyrazolopyridine compounds, to methods of preparing said 3-H-pyrazolopyridines, to intermediate compounds useful in said methods, to uses of said intermediate compounds in the preparation of said 3-H-pyrazolopyridines, as well as to uses of said 3-H-pyrazolopyridines 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.

  本发明涉及符合通式(I)的3-H-吡唑吡啶类化合物： 其中A、B、D、E、Ra、R1、R2、R3、R4、R5和q如权利要求中所定义的，并且涉及其盐、N-氧化物、溶剂合物和前药，涉及包含所述3-H-吡唑吡啶类化合物的制药组合物，制备所述3-H-吡唑吡啶类化合物的方法，有用于所述方法的中间化合物，以及有用于制备用于治疗失调血管生长的疾病或伴随失调血管生长的疾病的制药组合物的3-H-吡唑吡啶类化合物的用途，其中所述化合物有效地干扰Tie2信号传导。
• Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis
  申请人：Dixon Julie

  公开号：US20100063038A1

  公开（公告）日：2010-03-11

  This invention relates to novel pyrrozolotriazine compounds, pharmaceutical compositions containing such compounds and and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及新型吡唑三嗪化合物，包含这些化合物的制药组合物以及使用这些化合物或组合物治疗过度增殖和/或血管生成失调的方法，作为唯一活性成分或与其他活性成分联合使用。
• 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。