N-(4-(methylthio)phenyl)pyrimidine-2,4-diamine hydrochloride | 1401517-35-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(4-(methylthio)phenyl)pyrimidine-2,4-diamine hydrochloride
• 英文别名: 2-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine;hydrochloride
• CAS: 1401517-35-8
• 化学式: C₁₁H₁₂N₄S*ClH
• 分子量: 268.77
• InChiKey: YKPMLXIABIIRGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  89.1
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• NOVEL RHO KINASE INHIBITORS AND METHODS OF USE
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20140179689A1

  公开（公告）日：2014-06-26

  The subject invention concerns materials and methods for treating diseases and disorders associated with expression of Rho associated kinases (ROCKs). Examples of diseases and disorders contemplated within the scope of the invention include, but are not limited to, oncological disorders, cardiovascular diseases, CNS disorders, and inflammatory disorders. In one embodiment, a method of the invention comprises administering a therapeutically effective amount of one or more compounds of the present invention, or a composition comprising the compounds, to a person or animal in need of treatment. The subject invention also concerns compounds that inhibit ROCKs, and compositions that comprise the inhibitor compounds of the invention. Compounds contemplated within the scope of the invention include, but are not limited to, those compounds shown in Table 5.

  本发明涉及用于治疗与Rho相关激酶（ROCKs）表达相关的疾病和疾病的材料和方法。本发明范围内考虑的疾病和疾病的示例包括但不限于肿瘤学疾病，心血管疾病，中枢神经系统疾病和炎症性疾病。在一种实施方式中，本发明的方法包括向需要治疗的人或动物施用本发明的一种或多种化合物的治疗有效量，或含有该化合物的组合物。本发明还涉及抑制ROCKs的化合物和包含该抑制剂化合物的组合物。本发明范围内考虑的化合物包括但不限于表5中显示的那些化合物。
• US9616064B2
  申请人：——

  公开号：US9616064B2

  公开（公告）日：2017-04-11
• [EN] NOVEL RHO KINASE INHIBITORS AND METHODS OF USE<br/>[FR] NOUVEAUX INHIBITEURS DE LA RHO-KINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2012135697A2

  公开（公告）日：2012-10-04

  The subject invention concerns materials and methods for treating diseases and disorders associated with expression of Rho associated kinases (ROCKs). Examples of diseases and disorders contemplated within the scope of the invention include, but are not limited to, oncological disorders, cardiovascular diseases, CNS disorders, and inflammatory disorders. In one embodiment, a method of the invention comprises administering a therapeutically effective amount of one or more compounds of the present invention, or a composition comprising the compounds, to a person or animal in need of treatment. The subject invention also concerns compounds that inhibit ROCKs, and compositions that comprise the inhibitor compounds of the invention. Compounds contemplated within the scope of the invention include, but are not limited to, those compounds shown in Table (5).