(S)-2-(3-methylpiperazin-1-yl)pyrimidine | 668484-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-2-(3-methylpiperazin-1-yl)pyrimidine
• 英文别名: 2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
• CAS: 668484-58-0
• 化学式: C₉H₁₄N₄
• 分子量: 178.237
• InChiKey: NCORXGRXMXIUCY-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  41
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-2-(3-methylpiperazin-1-yl)pyrimidine 、 2-戊基丙二酸二乙酯 以36%的产率得到ethyl (2RS)-2-{[(2S)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]carbonyl}heptanoate
  参考文献：
  名称：

  Structure–Retention Relationship in a Series of Chiral 1,4-Disubstituted Piperazine Derivatives on Carbohydrate Chiral Stationary Phases

  摘要：

  New racemic 1,4-disubstituted piperazines chemically named ethyl 2-[(4-pyrimidin-2yl-piperazine-1yl)carbonyl]C3-C5-alkanoates 1-7 were synthesized. The compounds were resolved into enantiomers on cellulose tris(4-methylbenzoate) and amylose tris(3,5-dimethylphenylcarbamate) stationary phases using hexane/propan-2-ol mobile phases. The optimum separation conditions for the compounds were obtained on cellulose tris(4-methylbenzoate) with 5% of 2-propanol in hexane. The relationship between structural and chromatographic parameters is discussed.

  DOI：

  10.1016/j.farmac.2005.01.006
• 作为产物：
  描述：

  (S)-tert-butyl 2-methyl-4-(pyrimidin-2-yl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 (S)-2-(3-methylpiperazin-1-yl)pyrimidine
  参考文献：
  名称：

  PYRROLE mTORC INHIBITORS AND USES THEREOF

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物的方法。

  公开号：

  US20190389843A1

文献信息

• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021123291A1

  公开（公告）日：2021-06-24

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations; or alpha synucleinopathies, in particular Parkinson's disease, dementia due to Parkinson's (or neurocognitive disorder due to Parkinson's disease), dementia with Lewy bodies, multiple system atrophy, or alpha synucleinopathy caused by Gaucher's disease.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上行性核瘫痪；以及伴有tau病理的神经退行性疾病，特别是由C9ORF72突变引起的肌萎缩侧索硬化或额颞叶痴呆；或α-突触核蛋白病，特别是帕金森病、帕金森病引起的痴呆（或由帕金森病引起的神经认知障碍）、带有Lewy小体的痴呆、多系统萎缩，或由高雪氏病引起的α-突触核蛋白病。
• [EN] PYRROLE mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS PYRROLES DE MTORC ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089493A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• N-Hydroxyamide Derivatives and Use Thereof
  申请人：Swinnen Dominique

  公开号：US20080021028A1

  公开（公告）日：2008-01-24

  The present invention is related to N-hydroxyamide derivatives of Formula (I) and use thereof, in particular for the treatment and/or prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, cancer, respiratory diseases and fibrosis, including multiple sclerosis, arthritis, emphysema, chronic obstructive pulmonary disease, liver and pulmonary fibrosis.

  本发明涉及公式（I）的N-羟基酰胺衍生物及其用途，特别用于治疗和/或预防自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、癌症、呼吸系统疾病和纤维化，包括多发性硬化症、关节炎、肺气肿、慢性阻塞性肺疾病、肝脏和肺纤维化。
• BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS
  申请人：PFIZER INC.

  公开号：US20150239842A1

  公开（公告）日：2015-08-27

  This invention relates to compounds of general formula (I), in which R 1 , R 2 , R 6 , U, V, W, X, Y and Z are as defined herein, and the pharmaceutically acceptable salts thereof, pharmaceutical compositions containing such compounds and salts, and to methods of using such compounds, salts and compositions.

  本发明涉及一般式（I）的化合物，其中R1，R2，R6，U，V，W，X，Y和Z如本文所定义，并且其药学上可接受的盐，含有此类化合物和盐的药物组成物，以及使用此类化合物，盐和组成物的方法。
• N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF
  申请人：Laboratoires Serono SA

  公开号：EP1771421B1

  公开（公告）日：2009-04-29