2-Chloro-5-methylpyrimidin-4-ol | 1246763-80-3

• 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: 2-Chloro-5-methylpyrimidin-4-ol
• 英文别名: 2-chloro-5-methyl-1H-pyrimidin-6-one
• CAS: 1246763-80-3
• 化学式: C₅H₅ClN₂O
• mdl: MFCD21789373
• 分子量: 144.56
• InChiKey: MFYWDRCFNRGWGU-UHFFFAOYSA-N

物化性质

• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Chloro-5-methylpyrimidin-4-ol 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 1-Benzyl-2-(3-chloro-2-methylanilino)-5-methylpyrimidin-4-one
  参考文献：
  名称：

  6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

  摘要：

  公开号：

  EP3287443B1
• 作为产物：
  描述：

  2,4-二氯-5-甲基嘧啶 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以60%的产率得到2-Chloro-5-methylpyrimidin-4-ol
  参考文献：
  名称：

  走向l-同源DNA：立体选择性地从头合成β-l-赤型-己基吡喃糖基核苷

  摘要：

  配备2'，3'-二脱氧-β- 1-赤型-己基吡喃糖基核苷的新途径具有1'-（N 6-苯甲酰腺嘌呤-9-基）或1'-（胸腺嘧啶-1-基）部分已开发。对映体纯糖部分的合成通过从头开始的方法进行，该方法基于多米诺骨牌反应作为关键步骤。通过核苷碱基转移机制（B = T）或原位异构化（B = A或T）探索N-糖苷化，从而提供具有高总体立体选择性的目标核苷。

  DOI：

  10.1021/jo100691y

文献信息

• [EN] AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] COMPOSÉS D'AMINOISOXAZOLINE EN TANT QUE RÉCEPTEURS NICOTINIQUES ALPHA7 DE L'ACÉTYLCHOLINE
  申请人：FORUM PHARMACEUTICALS INC

  公开号：WO2017069980A1

  公开（公告）日：2017-04-27

  The present invention relates to novel aminoisoxazoline compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

  本发明涉及新型氨基异噁唑啉化合物及其药物组合物，适用作α7-nAChR的激动剂或部分激动剂，以及制备这些化合物和组合物的方法，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物，特别是将该化合物或组合物用于需要的患者的给药方法，例如患有认知缺陷和/或希望增强认知功能的患者，可能从中获益。
• 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same
  申请人：Shionogi & Co., Ltd.

  公开号：US10774051B2

  公开（公告）日：2020-09-15

  A compound represented by Formula (I): wherein or the like Y1 is O or the like; Z1 is C(R4) or N; Z2a is C(R5a) or the like; Z3a is C(R6) or the like; R4, R5a and R6 are each independently a hydrogen atom or the like; R1 is substituted or unsubstituted aromatic carbocyclyl or the like; R2a, R2b, R2c and R2d are each independently a hydrogen atom or the like; X is N(R7a) or the like; R7a is a hydrogen atom or the like; R3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R9a and R10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.

  由式 (I) 代表的化合物： 其中 之类 Y1是O或类似物；Z1是C(R4)或N；Z2a是C(R5a)或类似物；Z3a是C(R6)或类似物；R4、R5a和R6各自独立地是氢原子或类似物；R1是取代或未取代的芳香族碳环或类似物；R2a、R2b、R2c和R2d各自独立地是氢原子或类似物；X是N(R7a)或类似物；R7a是氢原子或类似物；R3是N(R7a)或类似物；R4、R5a和R6各自独立地是氢原子或类似物。 之类 环 B 是 6 元芳香族碳环或类似物；R9a 和 R10a 各自独立地为卤素或类似物；n 是 1 至 5 的整数；m 是 0 至 4 的整数；p1 是 0 至 3 的整数、 或其药学上可接受的盐。
• Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors
  申请人：Forum Pharmaceuticals, Inc.

  公开号：US20170247393A1

  公开（公告）日：2017-08-31

  The present invention relates to novel aminoisoxazoline compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.
• 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Shionogi & Co., Ltd.

  公开号：US20180118694A1

  公开（公告）日：2018-05-03

  A compound represented by Formula (I): wherein or the like Y 1 is O or the like; Z 1 is C(R 4 ) or N; Z 2a is C(R 5a ) or the like; Z 3a is C(R 6 ) or the like; R 4 , R 5a and R 6 are each independently a hydrogen atom or the like; R 1 is substituted or unsubstituted aromatic carbocyclyl or the like; R 2a , R 2b , R 2c and R 2d are each independently a hydrogen atom or the like; X is N(R 7a ) or the like; R 7a is a hydrogen atom or the like; R 3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R 9a and R 10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.
• US4200637A
  申请人：——

  公开号：US4200637A

  公开（公告）日：1980-04-29