5-(chloromethyl)-N-methyl-2-(methylthio)pyrimidine-4-amine | 686759-47-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-(chloromethyl)-N-methyl-2-(methylthio)pyrimidine-4-amine
• 英文别名: 5-(chloromethyl)-N-methyl-2-(methylthio)pyrimidin-4-amine；5-(chloromethyl)-N-methyl-2-(methylthio)-4-Pyrimidinamine；5-(chloromethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
• CAS: 686759-47-7
• 化学式: C₇H₁₀ClN₃S
• 分子量: 203.696
• InChiKey: RXKXKDMFBMDXJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(chloromethyl)-N-methyl-2-(methylthio)pyrimidine-4-amine 在 臭氧 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 12.0h， 生成 N-(6-methyl-5-(1-methyl-2-oxo-7-(phenylamino)-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)pyridin-3-yl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  [FR] COMPOSÉ DE PYRIMIDOPYRIMIDINONE ET COMPOSITION PHARMACEUTIQUE LE COMPRENANT
  [KO] 피리미도 피리미디논 화합물 및 그를 포함하는 약제학적 조성물

  摘要：

  本发明涉及一种含有皮里米多皮里米酮化合物及其有效成分的药学组合物，该化合物具有抑制PD-L1表达的效果。该发明的皮里米多皮里米酮化合物可有效用于治疗或预防癌症。

  公开号：

  WO2022060094A1
• 作为产物：
  描述：

  (4-甲基氨基-2-甲烷磺酰基-嘧啶-5-基)-甲醇 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以100%的产率得到5-(chloromethyl)-N-methyl-2-(methylthio)pyrimidine-4-amine
  参考文献：
  名称：

  [EN] PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  [FR] COMPOSÉ DE PYRIMIDOPYRIMIDINONE ET COMPOSITION PHARMACEUTIQUE LE COMPRENANT
  [KO] 피리미도 피리미디논 화합물 및 그를 포함하는 약제학적 조성물

  摘要：

  本发明涉及一种含有皮里米多皮里米酮化合物及其有效成分的药学组合物，该化合物具有抑制PD-L1表达的效果。该发明的皮里米多皮里米酮化合物可有效用于治疗或预防癌症。

  公开号：

  WO2022060094A1

文献信息

• [EN] AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS<br/>[FR] DERIVES AMIDE DE 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-D]PYRIMIDINONES, AINSI QUE LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA PROTEINE KINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2006024487A1

  公开（公告）日：2006-03-09

  The present invention relates to novel amide derivatives of 7-amino-3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及7-氨基-3-苯基二氢嘧啶[4,5-d]嘧啶酮的新型酰胺衍生物，其制造工艺，含有它们的药物及其制造，以及这些化合物作为药物活性剂的使用。本发明的衍生物是通用公式（I）的新化合物。
• Amide Derivatives of 3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents
  申请人：Engh Richard

  公开号：US20070232611A1

  公开（公告）日：2007-10-04

  The present invention relates to novel amide derivatives of 3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新酰胺衍生物，以及其制备方法、含有它们的药物、以及这些化合物作为药用活性剂的用途。本发明的衍生物是一般式(I)的新化合物。
• Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents
  申请人：Engh Richard

  公开号：US20080032970A1

  公开（公告）日：2008-02-07

  The present invention relates to novel amide derivatives of 7-amino-3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及7-氨基-3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新型酰胺衍生物，以及它们的制造过程、含有它们的药物和它们的制造，以及这些化合物作为药物活性剂的用途。本发明的衍生物是通式(I)的新化合物。
• 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。