1-[2-(3-Fluoro-phenyl)-5-isopropyl-2H-pyrazol-3-yl]-3-[3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenyl]-urea | 1160243-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[2-(3-Fluoro-phenyl)-5-isopropyl-2H-pyrazol-3-yl]-3-[3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenyl]-urea
• 英文别名: 1-[2-(3-Fluorophenyl)-5-propan-2-ylpyrazol-3-yl]-3-[3-[2-(1-methylpyrazolo[3,4-c]pyridin-4-yl)ethynyl]phenyl]urea
• CAS: 1160243-74-2
• 化学式: C₂₈H₂₄FN₇O
• 分子量: 493.543
• InChiKey: DZICJQXMJAIHHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  89.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-((1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)ethynyl)-phenylamine 、 [2-(3-fluoro-phenyl)-5-isopropyl-2H-pyrazol-3-yl]-carbamic acid phenyl ester 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 生成 1-[2-(3-Fluoro-phenyl)-5-isopropyl-2H-pyrazol-3-yl]-3-[3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenyl]-urea
  参考文献：
  名称：

  Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same

  摘要：

  该发明涉及通式（I）所示的炔基芳基化合物：其中A、B、D、E、Ra、R1、R3、R4、R5和q如权利要求中所定义，并且其盐、N-氧化物、溶剂合物和前药，包括所述炔基芳基化合物的药物组合物，制备所述炔基芳基化合物的方法，用于所述方法的有用中间化合物，以及用于所述中间化合物在制备所述炔基芳基化合物时的用途，以及用于制备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的所述炔基芳基化合物的用途。

  公开号：

  EP2070929A1

文献信息

• ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME
  申请人：Hartung Ingo

  公开号：US20100261730A1

  公开（公告）日：2010-10-14

  The invention relates to alkynylaryl compounds according to the general formula (I) in which A, B, D, E, R a , R 1 , 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 alkynylaryl compounds, to methods of preparing said alkynylaryl compounds, to intermediate compounds useful in said methods, to uses of said intermediate compounds in the preparation of said alkynylaryl compounds, as well as to uses of said alkynylaryl compounds for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth.

  本发明涉及通式(I)的炔基芳基化合物，其中A、B、D、E、Ra、R1、R3、R4、R5和q如权利要求所定义的，以及其盐、N-氧化物、溶剂合物和前药，包括含有该炔基芳基化合物的制药组合物，制备该炔基芳基化合物的方法，用于该方法的中间体化合物，以及用于制备治疗失调血管生长疾病或伴随失调血管生长的疾病的制药组合物的该炔基芳基化合物的用途。
• JP2011506365A
  申请人：——

  公开号：JP2011506365A

  公开（公告）日：2011-03-03
• US8481539B2
  申请人：——

  公开号：US8481539B2

  公开（公告）日：2013-07-09
• [EN] ALKYNYLARYL COMPOUNDS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME<br/>[FR] COMPOSÉS D'ALCYNYLARYLE ET LEURS SELS, COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2009074260A1

  公开（公告）日：2009-06-18

  The invention relates to alkynylaryl compounds according to the general formula (I) in which A, B, D, E, Ra, R1, R3, R4, R5 and q are as defined in the claims, and salts, N-oxides, solvates and prodrugs thereof, to pharmaceutical compositions comprising said alkynylaryl compounds, to methods of preparing said alkynylaryl compounds, to intermediate compounds useful in said methods, to uses of said intermediate compounds in the preparation of said alkynylaryl compounds, as well as to uses of said alkynylaryl compounds for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth.
• Alkynylaryl compounds and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2070929A1

  公开（公告）日：2009-06-17

  The invention relates to alkynylaryl compounds according to the general formula (I) : in which A, B, D, E, Ra, R1, R3, R4, R5 and q are as defined in the claims, and salts, N-oxides, solvates and prodrugs thereof, to pharmaceutical compositions comprising said alkynylaryl compounds, to methods of preparing said alkynylaryl compounds, to intermediate compounds useful in said methods, to uses of said intermediate compounds in the preparation of said alkynylaryl compounds, as well as to uses of said alkynylaryl compounds for manufacturing a pharmaceutical composition for the treatment of diseases of dysregulated vascular growth or of diseases which are accompanied with dysregulated vascular growth.

  该发明涉及通式（I）所示的炔基芳基化合物：其中A、B、D、E、Ra、R1、R3、R4、R5和q如权利要求中所定义，并且其盐、N-氧化物、溶剂合物和前药，包括所述炔基芳基化合物的药物组合物，制备所述炔基芳基化合物的方法，用于所述方法的有用中间化合物，以及用于所述中间化合物在制备所述炔基芳基化合物时的用途，以及用于制备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的所述炔基芳基化合物的用途。