3-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-fluoro-benzamide | 1118785-85-5

• 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: 3-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-fluoro-benzamide
• 英文别名: 3-chloro-N-[3-[(4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methoxy]-4-methylphenyl]-4-fluorobenzamide
• CAS: 1118785-85-5
• 化学式: C₂₁H₁₆Cl₂FN₅O₂
• 分子量: 460.295
• InChiKey: ODVVFJBRNKIJSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-fluoro-benzamide 在 氨 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 生成 3-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-N-(3-chloro-4-fluoro-phenyl)-4-methyl-benzamide
  参考文献：
  名称：

  PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES

  摘要：

  本文披露了一种新型的吡唑并[3,4-d]嘧啶衍生物，它们是Raf激酶的抑制剂。这些化合物及其药用可接受的盐和酯是抗增殖剂，可用于治疗或控制增殖性疾病，如实体肿瘤，特别是乳腺肿瘤、结肠肿瘤、肺肿瘤、前列腺肿瘤和黑色素瘤。还披露了一种包含这种化合物或其药用可接受的盐或酯的组合物和单位剂量制剂，制备这种化合物的方法，以及使用这种化合物或其药用可接受的盐或酯治疗增殖性疾病的方法。

  公开号：

  US20090048274A1
• 作为产物：
  描述：

  3-chloro-4-fluoro-N-(3-hydroxy-4-methyl-phenyl)-benzamide 、 3-bromomethyl-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 3-chloro-N-[3-(4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-ylmethoxy)-4-methyl-phenyl]-4-fluoro-benzamide
  参考文献：
  名称：

  PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES

  摘要：

  本文披露了一种新型的吡唑并[3,4-d]嘧啶衍生物，它们是Raf激酶的抑制剂。这些化合物及其药用可接受的盐和酯是抗增殖剂，可用于治疗或控制增殖性疾病，如实体肿瘤，特别是乳腺肿瘤、结肠肿瘤、肺肿瘤、前列腺肿瘤和黑色素瘤。还披露了一种包含这种化合物或其药用可接受的盐或酯的组合物和单位剂量制剂，制备这种化合物的方法，以及使用这种化合物或其药用可接受的盐或酯治疗增殖性疾病的方法。

  公开号：

  US20090048274A1

文献信息

• Pyrazolo[3,4-d]pyrimidine derivatives
  申请人：Hoffman-La Roche Inc.

  公开号：US07968554B2

  公开（公告）日：2011-06-28

  Disclosed are novel pyrazolo[3,4-d]pyrimidine derivatives that are inhibitors of Raf kinase. These compounds and their pharmaceutically-acceptable salts and esters are anti-proliferative agents useful in the treatment or control of proliferative disorders such as solid tumors, in particular breast tumor, colon tumor, lung tumor, prostate tumor, and melanoma. Also disclosed are a composition and a unit dose formulation comprising such a compound, or a pharmaceutically-acceptable salt or ester thereof, methods for making such compounds, and methods for using such compounds, or their pharmaceutically-acceptable salts or esters, in the treatment of proliferative disorders.

  本发明涉及一种新型的吡唑并[3,4-d]嘧啶衍生物，它们是Raf激酶抑制剂。这些化合物及其药学上可接受的盐和酯是抗增殖剂，可用于治疗或控制增殖性疾病，如实体瘤，特别是乳腺瘤、结肠瘤、肺瘤、前列腺瘤和黑色素瘤。本发明还涉及包含该化合物或其药学上可接受的盐或酯的组合物和单剂量制剂，制备这些化合物的方法，以及在治疗增殖性疾病时使用这些化合物或其药学上可接受的盐或酯的方法。
• PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2188290B1

  公开（公告）日：2011-06-08
• US7968554B2
  申请人：——

  公开号：US7968554B2

  公开（公告）日：2011-06-28
• [EN] PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS<br/>[FR] DÉRIVÉS DE PYRAZOLO[3,4-D]-PYRAMIDINE COMME AGENTS ANTIPROLIFÉRATIFS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009021869A1

  公开（公告）日：2009-02-19

  The present invention is directed to novel pyrazolo[3,4-d]pyrimidine derivatives of the formula (I), and pharmaceutically-acceptable salts and esters thereof, wherein R, Ring A, L, and Ring B are as described herein. These compounds and their pharmaceutically-acceptable salts and esters inhibit Raf kinase and have antiproliferative activity. As such, they are useful in the treatment or control of proliferative disorders such as cancer, in particular solid tumors, more particularly breast tumor, colon tumor, lung tumor, prostate tumor, and melanoma. Also disclosed are a composition and a unit dose formulation comprising such a compound, or a pharmaceutically-acceptable salt or ester thereof, methods for making such compounds, and methods for using such compounds, or their pharmaceutically-acceptable salts or esters, in the treatment of proliferative disorders.
• PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES
  申请人：Bartkovitz David Joseph

  公开号：US20090048274A1

  公开（公告）日：2009-02-19

  Disclosed are novel pyrazolo[3,4-d]pyrimidine derivatives that are inhibitors of Raf kinase. These compounds and their pharmaceutically-acceptable salts and esters are anti-proliferative agents useful in the treatment or control of proliferative disorders such as solid tumors, in particular breast tumor, colon tumor, lung tumor, prostate tumor, and melanoma. Also disclosed are a composition and a unit dose formulation comprising such a compound, or a pharmaceutically-acceptable salt or ester thereof, methods for making such compounds, and methods for using such compounds, or their pharmaceutically-acceptable salts or esters, in the treatment of proliferative disorders.

  本文披露了一种新型的吡唑并[3,4-d]嘧啶衍生物，它们是Raf激酶的抑制剂。这些化合物及其药用可接受的盐和酯是抗增殖剂，可用于治疗或控制增殖性疾病，如实体肿瘤，特别是乳腺肿瘤、结肠肿瘤、肺肿瘤、前列腺肿瘤和黑色素瘤。还披露了一种包含这种化合物或其药用可接受的盐或酯的组合物和单位剂量制剂，制备这种化合物的方法，以及使用这种化合物或其药用可接受的盐或酯治疗增殖性疾病的方法。