3-(2-chloro-4-fluoro-5-nitrophenyl)-1-methyl-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | 1011464-00-8

• 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: 3-(2-chloro-4-fluoro-5-nitrophenyl)-1-methyl-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
• 英文别名: 3-(2-chloro-4-fluoro-5-nitrophenyl)-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one
• CAS: 1011464-00-8
• 化学式: C₁₄H₁₁ClFN₅O₃S
• 分子量: 383.79
• InChiKey: IGMRJHJVJBTJDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(2-chloro-4-fluoro-5-nitrophenyl)-1-methyl-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one 在 盐酸 、 铁粉 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以84%的产率得到3-(5-amino-2-chloro-4-fluorophenyl)-1-methyl-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
  参考文献：
  名称：

  [EN] KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] INHIBITEURS DE LA KINASE UTILES DANS LE TRAITEMENT DE MALADIES PROLIFÉRATIVES

  摘要：

  公开号：

  WO2008033999A8
• 作为产物：
  描述：

  5-((2-chloro-4-fluoro-5-nitrophenylamino)methyl)-N-methyl-2-(methylthio)pyrimidin-4-amine 、 氯甲酸三氯甲酯 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 以59%的产率得到3-(2-chloro-4-fluoro-5-nitrophenyl)-1-methyl-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
  参考文献：
  名称：

  [EN] KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] INHIBITEURS DE LA KINASE UTILES DANS LE TRAITEMENT DE MALADIES PROLIFÉRATIVES

  摘要：

  公开号：

  WO2008033999A8

文献信息

• Kinase inhibitors useful for the treatment of proliferative diseases
  申请人：Flynn Daniel L.

  公开号：US20090099190A1

  公开（公告）日：2009-04-16

  The present invention relates to novel kinase inhibitors and modulator compounds useful for the treatment of various diseases. More particularly, the invention is concerned with such compounds, kinase/compound adducts, methods of treating diseases, and methods of synthesis of the compounds. Preferrably, the compounds are useful for the modulation of kinase activity of Raf kinases and disease polymorphs thereof. Compounds of the present invention find utility in the treatment of mammalian cancers and especially human cancers including but not limited to malignant melanoma, colorectal cancer, ovarian cancer, papillary thyroid carcinoma, non small cell lung cancer, and mesothelioma. Compounds of the present invention also find utility in the treatment of rheumatoid arthritis and retinopathies including diabetic retinal neuropathy and macular degeneration.

  本发明涉及一种新型激酶抑制剂和调节剂化合物，用于治疗各种疾病。更具体地说，本发明涉及这种化合物、激酶/化合物加合物、治疗疾病的方法以及化合物的合成方法。优选地，这些化合物对Raf激酶及其疾病多态性的激酶活性的调节是有用的。本发明的化合物在哺乳动物癌症的治疗中特别是人类癌症的治疗中，包括但不限于恶性黑色素瘤、结直肠癌、卵巢癌、乳头状甲状腺癌、非小细胞肺癌和间皮瘤。本发明的化合物也在类风湿性关节炎和视网膜病变，包括糖尿病性视网膜神经病变和黄斑变性的治疗中发挥作用。
• Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases
  申请人：FLYNN Daniel L.

  公开号：US20110118271A1

  公开（公告）日：2011-05-19

  The present invention relates to novel kinase inhibitors and modulator compounds useful for the treatment of various diseases. More particularly, the invention is concerned with such compounds, kinase/compound adducts, methods of treating diseases, and methods of synthesis of the compounds. Preferrably, the compounds are useful for the modulation of kinase activity of Raf kinases and disease polymorphs thereof. Compounds of the present invention find utility in the treatment of mammalian cancers and especially human cancers including but not limited to malignant melanoma, colorectal cancer, ovarian cancer, papillary thyroid carcinoma, non small cell lung cancer, and mesothelioma. Compounds of the present invention also find utility in the treatment of rheumatoid arthritis and retinopathies including diabetic retinal neuropathy and macular degeneration.

  本发明涉及新型激酶抑制剂和调节剂化合物，可用于治疗各种疾病。更具体地，本发明涉及这样的化合物、激酶/化合物加合物、治疗疾病的方法以及化合物的合成方法。优选地，这些化合物对于调节Raf激酶及其疾病多态性的激酶活性是有用的。本发明的化合物在哺乳动物癌症治疗中，特别是人类癌症治疗中，包括但不限于恶性黑色素瘤、结直肠癌、卵巢癌、乳头状甲状腺癌、非小细胞肺癌和间皮瘤方面具有应用价值。本发明的化合物也在类风湿性关节炎和视网膜病变治疗中，包括糖尿病性视网膜神经病变和黄斑变性方面具有应用价值。
• KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Deciphera Pharmaceuticals, LLC.

  公开号：EP2063896A2

  公开（公告）日：2009-06-03
• US7897762B2
  申请人：——

  公开号：US7897762B2

  公开（公告）日：2011-03-01
• [EN] KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] INHIBITEURS DE LA KINASE UTILES DANS LE TRAITEMENT DE MALADIES PROLIFÉRATIVES
  申请人：DECIPHERA PHARMACEUTICALS LLC

  公开号：WO2008033999A8

  公开（公告）日：2009-11-05