N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-5-methylfuran-2-sulfonamide | 1380229-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-5-methylfuran-2-sulfonamide
• 英文别名: N-[2,4-difluoro-3-[[3-[9-(oxan-2-yl)purin-6-yl]pyridin-2-yl]amino]phenyl]-5-methylfuran-2-sulfonamide
• CAS: 1380229-02-6
• 化学式: C₂₆H₂₃F₂N₇O₄S
• 分子量: 567.576
• InChiKey: XKSUTLSRZUXZHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-5-methylfuran-2-sulfonamide 在 盐酸 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 2.0h， 以81%的产率得到N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-5-methylfuran-2-sulfonamide
  参考文献：
  名称：

  PURINYLPYRIDINYLAMINO-2,4-DIFLUOROPHENYL SULFONAMIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION WITH INHIBITORY ACTIVITY AGAINST RAF KINASE, CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP2647637B1
• 作为产物：
  描述：

  2,6-二氟苯甲酸 在 吡啶 、 盐酸 、 sodium azide 、 草酰氯 、 硫酸 、 palladium on activated charcoal 、 氢气 、 potassium nitrate 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 74.5h， 生成 N-(2,4-difluoro-3-(3-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-2-ylamino)phenyl)-5-methylfuran-2-sulfonamide
  参考文献：
  名称：

  PURINYLPYRIDINYLAMINO-2,4-DIFLUOROPHENYL SULFONAMIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION WITH INHIBITORY ACTIVITY AGAINST RAF KINASE, CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP2647637B1

文献信息

• NOVEL PURINYLPYRIDINYLAMINO-2,4-DIFLUOROPHENYL SULFONAMIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION WITH INHIBITORY ACTIVITY AGAINST RAF KINASE, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Shim Eun Kyong

  公开号：US20130317023A1

  公开（公告）日：2013-11-28

  A novel purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition with an inhibitory activity against Raf kinase, containing the same as an active ingredient are provided. The purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative of the present invention effectively regulates the activity of B-Raf kinase, and thus may be useful for preventing or treating cancers induced by the over-activation of Raf kinase, especially various melanoma, colorectal cancer, prostate cancer, thyroid cancer, ovarian cancer and the like.

  本发明提供了一种新型嘌呤基吡啶基氨基-2,4-二氟苯磺酰胺衍生物及其药学上可接受的盐、其制备方法以及含有其作为活性成分的具有抑制Raf激酶活性的制药组合物。本发明的嘌呤基吡啶基氨基-2,4-二氟苯磺酰胺衍生物有效调节B-Raf激酶活性，因此可能有助于预防或治疗由Raf激酶过度活化引起的癌症，特别是各种黑色素瘤、结直肠癌、前列腺癌、甲状腺癌、卵巢癌等。
• Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against Raf kinase, containing same as active ingredient
  申请人：Shim Eun Kyong

  公开号：US09216981B2

  公开（公告）日：2015-12-22

  A novel purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition with an inhibitory activity against Raf kinase, containing the same as an active ingredient are provided. The purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative of the present invention effectively regulates the activity of B-Raf kinase, and thus may be useful for preventing or treating cancers induced by the over-activation of Raf kinase, especially various melanoma, colorectal cancer, prostate cancer, thyroid cancer, ovarian cancer and the like.

  本发明提供了一种新颖的嘌呤基吡啶基氨基-2,4-二氟苯磺酰胺衍生物及其药学上可接受的盐、其制备方法以及一种含有该衍生物作为活性成分的具有Raf激酶抑制活性的制剂。本发明的嘌呤基吡啶基氨基-2,4-二氟苯磺酰胺衍生物有效调节B-Raf激酶的活性，因此可用于预防或治疗由Raf激酶过度活化引起的各种黑色素瘤、结肠直肠癌、前列腺癌、甲状腺癌、卵巢癌等癌症。
• US9216981B2
  申请人：——

  公开号：US9216981B2

  公开（公告）日：2015-12-22
• PURINYLPYRIDINYLAMINO-2,4-DIFLUOROPHENYL SULFONAMIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION WITH INHIBITORY ACTIVITY AGAINST RAF KINASE, CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Medpacto Inc.

  公开号：EP2647637B1

  公开（公告）日：2016-02-03