6-(甲基氨基)-2-苯基嘧啶-4(3H)-酮 | 31937-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-(甲基氨基)-2-苯基嘧啶-4(3H)-酮
• 英文名称: 6-Methylamino-2-phenylpyrimidin-4(3H)-one
• 英文别名: 2-Phenyl-4-methylamino-6(1H)-pyrimidinon；6-methylamino-2-phenyl-3H-pyrimidin-4-one；6-(methylamino)-2-phenylpyrimidin-4(3H)-one；4-(methylamino)-2-phenyl-1H-pyrimidin-6-one
• CAS: 31937-01-6
• 化学式: C₁₁H₁₁N₃O
• 分子量: 201.228
• InChiKey: JNIFVYDWVXRTEX-UHFFFAOYSA-N

物化性质

• 熔点：
  270 °C
• 沸点：
  346.2±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(甲基氨基)-2-苯基嘧啶-4(3H)-酮 、 2,4-二氟嘧啶 在 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 6-((2-fluoropyrimidin-4-yl)(methyl)amino)-2-phenylpyrimidin-4-ol
  参考文献：
  名称：

  Substituted heterocyclic compounds and methods of use

  摘要：

  本发明涉及吡啶、嘧啶及其衍生物，以及其药用盐。还包括一种治疗炎症、类风湿关节炎、帕盖特病、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性或慢性骨髓性白血病、胰岛素β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、成人呼吸窘迫综合征（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏反应、接触性皮炎、哮喘、肌肉退化、虚弱、赖特氏综合征、I型糖尿病、II型糖尿病、骨吸收性疾病、移植物抗宿主反应、阿尔茨海默病、中风、心肌梗塞、缺血再灌注损伤、动脉粥样硬化、脑外伤、多发性硬化、脑疟疾、败血症、脓毒性休克、中毒性休克综合征、发热、由HIV-1、HIV-2、HIV-3、巨细胞病毒（CMV）、流感病毒、腺病毒、疱疹病毒或带状疱疹感染引起的肌肉疼痛的方法，包括向哺乳动物施用上述化合物的有效量。

  公开号：

  US20060069110A1
• 作为产物：
  描述：

  甲胺 、 2-苯基-6-氯-4-羟基嘧啶 以 正丁醇 为溶剂， 反应 5.0h， 以97%的产率得到6-(甲基氨基)-2-苯基嘧啶-4(3H)-酮
  参考文献：
  名称：

  Nagamatsu, Tomohisa; Yamato, Hirotake; Ono, Masami, Journal of the Chemical Society. Perkin transactions I, 1992, # 16, p. 2101 - 2110

  摘要：

  DOI：

文献信息

• Autorecycling oxidation of alcohols catalyzed by pyridodipyrimidines as an NAD(P)+ model
  作者：Fumio Yoneda、Hirotake Yamato、Masami Ono

  DOI：10.1021/ja00409a070

  日期：1981.9
• New Synthesis and Biologically Active Molecular Design of Deazapteridine-Steroid Hybrid Compounds
  作者：Tomohisa Nagamatsu、Hiroki Yamada、Kazuyuki Shiromoto

  DOI：10.3987/com-03-9925

  日期：——

  This paper describes a facile and general synthesis of a new class of the hybrid compounds (4, 5 and 16), possessing 5-deazapteridine and steroid in the same ring system, by condensation of 6-(monosubstituted amino)uracils (9) or 6-(monosubstituted amino)-2-phenylpyrimidin-4(3H)-ones (14) with 2-hydroxymethyleneandrostanolone (10) or 2-hydroxymethylenetestosterone (15) under heating in the presence of p-toluenesulfonic acid monohydrate and their potential unti-coccidiosis activities.
• YONEDA F.; NAGAMATSU T., J. CHEM. SOC. PERKIN TRANS., PART 1 <JCPK-BH>, 1976, NO 14, 1547-1550
  作者：YONEDA F.、 NAGAMATSU T.

  DOI：——

  日期：——
• SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  申请人：Amgen Inc.

  公开号：EP1794135A1

  公开（公告）日：2007-06-13
• [EN] SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES HETEROCYCLIQUES SUBSTITUES ET PROCEDES D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2006037117A1

  公开（公告）日：2006-04-06

  The present invention relates to pyridines, pyrimidines and derivatives thereof, (I) or a pharmaceutically acceptable salts thereof, wherein X1 is N or CR3; X2 is N or CR4; or -X1=X2- is -C(=O)-N(Ra)- or -N(Ra)-C(=O)-; X3 is N or CR4; X4 is N or CR4; X5 is N or CR6; X6 is N or CR6; wherein only 1, 2 or 3 of X1, X2, X3 and X4 are N; R1 is a saturated partially saturated or unsaturated 5-, 6- or 7-membered, ring containing 0, 1, 2 or 3 atoms selected from N, O and S, wherein the ring is substituted by 0, 1, 2 or 3 substituents. Also included is a method of treatment of inflammation, rheumatoid arthritis, Pagets disease, osteoporosis, multiple myeloma, uveititis, acute or chronic myelogenous leukemia, pancreatic ß cell destruction, osteoarthritis, rheumatoid spondylitis, gouty arthritis, inflammatory bowel disease, adult respiratory distress syndrome (ARDS), psoriasis, Crohn's disease, allergic rhinitis, ulcerative colitis, anaphylaxis, contact dermatitis, asthma, muscle degeneration, cachexia, Reiter's syndrome, type I diabetes, type II diabetes, bone resorption diseases, graft vs. host reaction, Alzheimer's disease, stroke, myocardial infarction, ischemia reperfusion injury, atherosclerosis, brain trauma, multiple sclerosis, cerebral malaria, sepsis, septic shock, toxic shock syndrome, fever, myalgias due to HIV-1, HIV-2, HIV-3, cytomegalovirus (CMV), influenza, adenovirus, the herpes viruses or herpes zoster infection in a mammal comprising administering an effective amount a compound as described above.