6-methyl-2-[(pyridin-2-ylmethyl)sulfanyl]pyrimidin-4-ol | 132147-55-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-methyl-2-[(pyridin-2-ylmethyl)sulfanyl]pyrimidin-4-ol
• 英文别名: 6-methyl-2-[(pyridin-2-yl)methyl]thio-4(3H)-pyrimidinone；4-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
• CAS: 132147-55-8
• 化学式: C₁₁H₁₁N₃OS
• 分子量: 233.294
• InChiKey: JUUOZIWAMWLGHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基硫脲嘧啶 、 2-氯甲基吡啶盐酸盐 在 异丙醇 、 title compound 作用下， 以is obtained as a yellowish crystalline substance in a yield of 45%, m.p.: 154°-156° C.的产率得到6-methyl-2-[(pyridin-2-ylmethyl)sulfanyl]pyrimidin-4-ol
  参考文献：
  名称：

  Novel thiouracyl derivatives, pharmaceutical compositions containing

  摘要：

  本发明涉及公式（I）的新化合物，其中R.sub.1和R.sub.2分别独立地代表氢，C.sub.1-4烷基，苯基，苯基-C.sub.1-4烷基，吡啶基或吡啶基-C.sub.1-4烷基；E表示含有1至6个碳原子的直链或支链饱和碳氢链；R.sub.3表示：苯基，其邻位取代为C.sub.2-5烷酰胺基，N-C.sub.2-5烷酰基-N-C.sub.1-4烷基氨基或二（C.sub.1-4烷基）氨基，并可选择进一步取代为卤素，C.sub.1-4烷基，C.sub.1-4烷氧基或C.sub.2-5烷酰氧基；或吡啶基，可选择单取代或多取代为卤素，C.sub.1-4烷基，C.sub.1-4烷氧基，C.sub.2-5烷酰氧基或苯基-C.sub.1-4烷氧基。此外，本发明还涉及这些化合物的酸加成盐和互变异构体。根据本发明的化合物显示出抑制胃酸分泌和细胞保护作用，可用于治疗胃肠系统溃疡。

  公开号：

  US05037830A1

文献信息

• Novel thiouracil derivatives pharmaceutical compositions containing them and process for preparing same
  申请人：RICHTER GEDEON VEGYESZETI GYAR RT.

  公开号：EP0391254A3

  公开（公告）日：1991-04-03

  The present invention relates to novel compounds of the general formula (I), wherein R₁ and R₂ stand independently from each other, for hydrogen C₁₋₄alkyl, phenyl, phenyl-C₁₋₄alkyl, piridyl or piridyl-C₁₋₄alkyl group; E means a straight or branched, saturated hydrocarbon chain containing 1 to 6 carbon atoms; R₃ represents: a phenyl group ortho-substituted by a C₂₋₅alkanoylamino, N-C₂₋₅alkanoyl-N-C₁₋₄alkylamino or di(C₁₋₄alkyl)amino group and optionally further substituted by halogen, C₁₋₄alkyl, C₁₋₄alkoxy or C₂₋₅alkanoyloxy group; or a pyridyl group optionally mono- or polysubstituted by halogen, C₁₋₄alkyl, C₁₋₄alkoxy, C₂₋₅alkanoyloxy or phenyl-C₁₋₄alkoxy group as well as their acid addition salts and tautomeric forms of these compounds.The compounds according to the invention show gastric acid secretion-inhibiting and cytoprotective effects and are useful for the treatment of ulcers of the gastrointestinal system.

  本发明涉及一般式（I）的新化合物，其中R₁和R₂分别代表氢、C₁₋₄烷基、苯基、苄基、吡啶基或吡啶基-C₁₋₄烷基；E表示含有1至6个碳原子的直链或支链饱和碳氢链；R₃代表：邻位被C₂₋₅烷酰胺基、N-C₂₋₅烷酰基-N-C₁₋₄烷基胺基或二(C₁₋₄烷基)氨基基取代的苯基，并可选择进一步被卤素、C₁₋₄烷基、C₁₋₄烷氧基或C₂₋₅烷酰氧基取代；或者是吡啶基，可选择被卤素、C₁₋₄烷基、C₁₋₄烷氧基、C₂₋₅烷酰氧基或苯基-C₁₋₄烷氧基单取代或多取代。此外，本发明还涉及这些化合物的酸盐和其异构体形式。根据本发明的化合物显示出抑制胃酸分泌和细胞保护作用，可用于治疗消化系统溃疡。
• PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS
  申请人：Université Laval

  公开号：US20150225423A1

  公开（公告）日：2015-08-13

  The present invention features compounds having the Formula (Ia) and (Ib) (e.g., a compound of any of Formulas ((Ia-2)-(Ia-21)), including other tautomers, stereoisomers, E/Z stereoisomers, prodrugs, pharmaceutically acceptable salts, and compositions thereof. The invention also features methods for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient by administering an effective amount of a compound of Formula (Ia) or (Ib). The invention also features a method for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient that includes administering to a patient in need thereof an effective amount of a compound of Formula (IIa) or (IIb) (e.g., a compound of any of Formulas ((IIa-2)-(IIa-6)). The compounds described herein (e.g., a compound of Formulas (Ia), (Ib), (IIa), or (IIb)) can also be used as anticonvulsants.

  本发明涉及具有式(Ia)和(Ib)的化合物(例如，任何公式((Ia-2)-(Ia-21))的化合物，包括其他互变异构体、立体异构体、E/Z立体异构体、前药、药学上可接受的盐及其组合物。本发明还涉及通过给患者施用式(Ia)或(Ib)的化合物的有效量来治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法。本发明还涉及一种治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法，包括向需要的患者施用式(IIa)或(IIb)的化合物的有效量(例如，任何公式((IIa-2)-(IIa-6))的化合物)。本文所描述的化合物(例如，公式(Ia)、(Ib)、(IIa)或(IIb)的化合物)也可用作抗惊厥剂。
• Pyrimidines as novel therapeutic agents
  申请人：Université Laval

  公开号：US09315521B2

  公开（公告）日：2016-04-19

  The present invention features compounds having the Formula (Ia) and (Ib) (e.g., a compound of any of Formulas ((Ia-2)-(Ia-21)), including other tautomers, stereoisomers, E/Z stereoisomers, prodrugs, pharmaceutically acceptable salts, and compositions thereof. The invention also features methods for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient by administering an effective amount of a compound of Formula (Ia) or (Ib). The invention also features a method for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient that includes administering to a patient in need thereof an effective amount of a compound of Formula (IIa) or (IIb) (e.g., a compound of any of Formulas ((IIa-2)-(IIa-6)). The compounds described herein (e.g., a compound of Formulas (Ia), (Ib), (IIa), or (IIb)) can also be used as anticonvulsants.

  本发明涉及具有公式(Ia)和(Ib)的化合物（例如，包括公式((Ia-2)-(Ia-21))中的任何一种化合物，包括其他互变异构体，立体异构体，E/Z立体异构体，前药，药学上可接受的盐以及其组合物）。本发明还涉及通过给患者投予公式(Ia)或(Ib)的化合物的有效量来治疗或预防疼痛（例如神经痛），炎症或癫痫的方法。本发明还涉及一种治疗或预防疼痛（例如神经痛），炎症或癫痫的方法，该方法包括给需要的患者投予公式(IIa)或(IIb)的有效量（例如，包括公式((IIa-2)-(IIa-6))中的任何一种化合物）。本文描述的化合物（例如，公式(Ia)，(Ib)，(IIa)或(IIb)中的任何一种化合物）也可以用作抗惊厥药物。
• METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS
  申请人：Université Laval

  公开号：EP2432776B1

  公开（公告）日：2019-09-11
• METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS
  申请人：Chlorion Pharma, Inc.

  公开号：EP2432776A1

  公开（公告）日：2012-03-28