4-(4-溴嘧啶-2-基)吗啉 | 663194-10-3

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-(4-溴嘧啶-2-基)吗啉
• 英文名称: 4-(4-bromopyrimidin-2-yl)morpholine
• CAS: 663194-10-3
• 化学式: C₈H₁₀BrN₃O
• 分子量: 244.091
• InChiKey: AVLAJWPBZJNJDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  382.8±52.0 °C(Predicted)
• 密度：
  1.570±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  4-(4-溴嘧啶-2-基)吗啉 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.25h， 生成 6-(2-morpholinopyrimidin-4-yl)quinazolin-4-amine
  参考文献：
  名称：

  Optimization of physicochemical properties for 4-anilinoquinazoline inhibitors of trypanosome proliferation

  摘要：

  Human African trypanosomiasis (HAT) is a deadly disease in need of new chemotherapeutics that can cross into the central nervous system. We previously reported the discovery of 2 (NEU-617), a small molecule with activity against T brucei bloodstream proliferation. Further optimization of 2 to improve the physicochemical properties (LogP, LLE, [1], and MPO score) [2] have led us to twelve sub-micromolar compounds, most importantly the headgroup variants 9i and 9j, and the linker variant 18. Although these 3 compounds had reduced potency compared to 2, they all had improved LogP, LLE and MPO scores. Cross-screening these analogs against other protozoan parasites uncovered 90 with potent activity towards T. brucei, T cruzi and L major, while four others compounds (17,18, 21, 26) showed activity towards P. falciparum D6. This reinforces the effectiveness of lead repurposing for the discovery of new protozoan disease therapeutics. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.10.007
• 作为产物：
  描述：

  2-吗啉基-4-羟基嘧啶 在 三溴氧磷 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以87%的产率得到4-(4-溴嘧啶-2-基)吗啉
  参考文献：
  名称：

  [EN] 1,4-DISUBSTITUTED ISOQUINILONE DERIVATIVES AS RAF-KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  [FR] DERIVES D'ISOQUINILONE 1,4-DISUBSTITUES EN TANT QU'INHIBITEURS DE RAF-KINASE UTILES POUR LE TRAITEMENT DE MALADIES PROLIFERANTES

  摘要：

  本发明涉及式（I）化合物，其中变量取代基在本文中描述。这些化合物可用于治疗由异常的MAP激酶信号通路引起的疾病和症状，如癌症。

  公开号：

  WO2005028444A1

文献信息

• [EN] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING<br/>[FR] INHIBITEURS DE LA LIAISON PROTÉINE WDR5-PROTÉINE
  申请人：ONTARIO INST FOR CANCER RES (OICR)

  公开号：WO2017147700A1

  公开（公告）日：2017-09-08

  The present application is directed to compounds of Formula I: compounds comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

  本申请涉及到Formula I的化合物：包括这些化合物的化合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、疾病或症状的药物。
• [EN] SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE<br/>[FR] HÉTÉROCYCLES À 5, 6 ET 7 CHAÎNONS SUBSTITUÉS, MÉDICAMENTS CONTENANT CES COMPOSÉS ET LEUR UTILISATION
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2011159760A1

  公开（公告）日：2011-12-22

  The present invention relates to compounds defined by formula I: wherein the variables A1, A2, Cy1 Cy2, Cy3, E, R1a, R1b, R2, R3, n, and Q are as defined herein, possessing valuable pharmacological activity. Particularly, the compounds are inhibitors of 11 β-hydroxysteroid dehydrogenase (HSD) 1 and thus are suitable for treatment and prevention of diseases which can be influenced by inhibition of this enzyme, such as metabolic diseases, in particular diabetes type 2, obesity, and dyslipidemia.

  本发明涉及由以下式I定义的化合物：其中变量A1、A2、Cy1、Cy2、Cy3、E、R1a、R1b、R2、R3、n和Q如本文所定义，具有有价值的药理活性。特别地，这些化合物是11β-羟基类固醇脱氢酶（HSD）1的抑制剂，因此适用于治疗和预防可以受到该酶抑制影响的疾病，如代谢性疾病，特别是2型糖尿病、肥胖症和血脂异常。
• [EN] AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS AZAINDAZOLE EN TANT QU'ANTAGONISTES DES RÉCEPTEURS CCR1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010036632A1

  公开（公告）日：2010-04-01

  Disclosed are compounds of the formula (I), useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are methods of making and methods of using same.

  公开的是化合物的公式（I），用于治疗通过CCR1活性介导或维持的多种疾病和疾病，包括自身免疫性疾病，如风湿性关节炎和多发性硬化症。还公开了制备方法和使用方法。
• [EN] PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY<br/>[FR] DÉRIVÉS DE PYRROLIDINE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT, ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140310A1

  公开（公告）日：2014-09-18

  The present invention relates to pyrrolidine derivatives of formula (I), or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such pyrrolidine derivatives, and the use of such pyrrolidine derivatives for therapeutic purposes. The pyrrolidine derivatives are GlyT1 inhibitors.

  本发明涉及式(I)的吡咯烷衍生物，或其生理耐受盐。该发明涉及包含此类吡咯烷衍生物的药物组合物，以及利用此类吡咯烷衍生物进行治疗的用途。这些吡咯烷衍生物是GlyT1抑制剂。
• [EN] INDOLIN-2-ONE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLIN-2-ONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017076842A1

  公开（公告）日：2017-05-11

  The present invention is concerned with indolin-2-one derivatives of general formula (I) wherein the substituents are defined in claim 1. The compounds may be used in the treatment of CNS diseases related to positive (psychosis) and negative symptoms of schizophrenia, substance abuse, alcohol and drug addiction, obsessive-compulsive disorders, cognitive impairment, bipolar disorders, mood disorders, major depression, treatment resistant depression, anxiety disorders, Alzheimer's disease, autism, Parkinson's disease, chronic pain, borderline personality disorder, neurodegenerative disease, sleep disturbances, chronic fatigue syndrome, stiffness, inflammatory disease, asthma, Huntington's disease, ADHD, amyotrophic lateral sclerosis, effects in arthritis, autoimmune disease, viral and fungal infections, cardiovascular diseases, ophthalmology and inflammatory retinal diseases and balance problems, epilepsy and neurodevelopmental disorders with co-morbid epilepsy.

  本发明涉及一般式(I)的吲哚啉-2-酮衍生物，其中取代基如权利要求书中所定义。这些化合物可用于治疗与精神分裂症的阳性（精神病）和阴性症状、物质滥用、酒精和药物成瘾、强迫症障碍、认知障碍、双相障碍、情绪障碍、重度抑郁症、治疗抗性抑郁症、焦虑障碍、阿尔茨海默病、自闭症、帕金森病、慢性疼痛、边缘人格障碍、神经退行性疾病、睡眠障碍、慢性疲劳综合症、僵硬、炎症性疾病、哮喘、亨廷顿病、注意力缺陷多动障碍、肌萎缩侧索硬化、关节炎、自身免疫疾病、病毒和真菌感染、心血管疾病、眼科学和炎症性视网膜疾病以及平衡问题、癫痫和伴有癫痫的神经发育障碍相关的中枢神经系统疾病的治疗。