5-溴-1,2-二氢嘧啶-2-酮氢溴酸盐 | 81590-30-9

• 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: 5-溴-1,2-二氢嘧啶-2-酮氢溴酸盐
• 英文名称: 5-bromo-2-hydroxypyrimidine hydrobromide
• 英文别名: 5-Bromopyrimidin-2(1H)-one hydrobromide；5-bromo-1H-pyrimidin-2-one;hydrobromide
• CAS: 81590-30-9
• 化学式: BrH*C₄H₃BrN₂O
• 分子量: 255.897
• InChiKey: YCVVNDGBAKEXQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-碘代丙烷 、 5-溴-1,2-二氢嘧啶-2-酮氢溴酸盐 在 potassium carbonate 、 二甲基亚砜 作用下， 以 水 为溶剂， 以31%的产率得到5-bromo-1-isopropylpyrimidin-2(1H)-one
  参考文献：
  名称：

  EP1820797

  摘要：

  公开号：

文献信息

• Substituted pyrimidin-2-ones, the salts thereof, processes for their
  申请人：Glaxo Group Limited

  公开号：US04636509A1

  公开（公告）日：1987-01-13

  Compounds of the general formula: ##STR1## (wherein X represents a halogen atom or a trifluoromethyl group; R.sup.1 represents an optionally substituted C.sub.6-10 carbocyclic aromatic group; and R.sup.2 represents a hydrogen atom or a lower alkyl, C.sub.7-16 aralkyl or C.sub.6-10 aryl group or the group COR.sup.1a, in which R.sup.1a is as defined for R.sup.1, R.sup.1 and R.sup.1a being the same or different) and where an acidic or basic group is present, the salts thereof have been found to possess excellent metaphase arresting ability and are of use in combating abnormal cell proliferation. Thus a knowledge of the cell division cycles of the normal and abnormal cells enables a cytotoxic drug to be administered while the abnormal cells are in a phase susceptible to attack and while the normal cells are in a non-susceptible phase. The compounds of the invention are prepared by alkylation, deprotection of a protected keto group, oxidation or electrophilic halogenation. Pharmaceutical compositions containing the compounds of formula I, and where appropriate, the physiologically compatible salts thereof; and methods for the use of the compounds are described and claimed.

  通式为：##STR1##（其中X代表卤原子或三氟甲基基团；R.sup.1代表可选择取代的C.sub.6-10碳环芳基团；R.sup.2代表氢原子或较低的烷基、C.sub.7-16芳基烷基或C.sub.6-10芳基团或基团COR.sup.1a，其中R.sup.1a如R.sup.1所定义，R.sup.1和R.sup.1a相同或不同）并且存在酸性或碱性基团，已发现其盐具有出色的中期阻滞能力，并可用于对抗异常细胞增殖。因此，了解正常和异常细胞的细胞分裂周期使得可以在异常细胞处于易受攻击阶段而正常细胞处于不易受攻击阶段时给予细胞毒性药物。本发明的化合物通过烷基化、去保护受保护的酮基团、氧化或亲电卤代反应制备。描述和声明了含有通式I化合物的药物组合物，以及在适当情况下其生理相容盐；并描述和声明了使用这些化合物的方法。
• Substituted pyrimidin-2-ones, the salts thereof, pharmaceutical
  申请人：Glaxo Group Limited

  公开号：US04650800A1

  公开（公告）日：1987-03-17

  Compounds of the general formula: ##STR1## wherein X represents a halogen atom or a trifluoromethyl group; R.sup.1 represents a hydrogen atom or a lower alkyl group and Het represents an optionally substituted C-attached 5-7 membered aromatic heterocyclic ring which ring contains one or more heteroatoms selected from O, N and S and optionally carries a fused ring and where an acidic or basic group is present, the salts thereof have been found to possess excellent metaphase arresting ability and are of use in combating abnormal cell proliferation. Thus a knowledge of the cell division cycles of the normal and abnormal cells enables a cytotoxic drug to be administered while the abnormal cells are in a phase susceptible to attack and while the normal cells are in a non-susceptible phase. The compounds of the invention are prepared by alkylation, deprotection of a protected keto group, oxidation or electrophilic halogenation.

  通式化合物：##STR1##其中X代表卤素原子或三氟甲基；R1代表氢原子或低级烷基，Het代表可选择性取代的C连接的5-7元芳香杂环，该环含有一个或多个选自O、N和S的杂原子，并可选择性地带有融合环，且当存在酸性或碱性基团时，其盐已被发现具有优异的染色体中期阻滞能力，并可用于对抗异常细胞增殖。因此，了解正常和异常细胞的分裂周期使得可以在异常细胞处于易受攻击阶段时给予细胞毒性药物，而正常细胞处于非易受攻击阶段。本发明的化合物通过烷基化、保护酮基的去保护、氧化或亲电卤化制备。
• Substituted Pyridone Derivative
  申请人：Ohtake Norikazu

  公开号：US20080269287A1

  公开（公告）日：2008-10-30

  Compounds of a formula (I) [wherein, A represents formula (III-1) R3 is a hydrogen, lower alkyl et al; m is 0 or 1; R1 is a hydrogen atom, halogen atom et al, R2 is a hydrogen et al; p is 0 to 4; X is a carbon atom or nitrogen atom; and X1 to X4 is a lower alkyl et al], or pharmaceutical acceptable salts thereof. These have a potency antagonistic to binding to histamine H3 receptor, or have a potency inhibiting the constant activity of histamine H3 receptor, and are useful in the therapy of obesity, diabetes et al.

  公式（I）的化合物[其中，A代表公式（III-1），R3是氢，低碳基等; m为0或1; R1是氢原子，卤原子等，R2是氢等; p为0到4; X是碳原子或氮原子; X1到X4是低碳基等]，或其药学上可接受的盐。这些化合物具有对组胺H3受体的拮抗作用，或具有抑制组胺H3受体的恒定活性的功效，并可用于肥胖症、糖尿病等疾病的治疗。
• Substituted pyridone derivative
  申请人：MSD K.K.

  公开号：US08158652B2

  公开（公告）日：2012-04-17

  Compounds of a formula (I) [wherein, A represents formula (III-1) R3 is a hydrogen, lower alkyl et al; m is 0 or 1; R1 is a hydrogen atom, halogen atom et al, R2 is a hydrogen et al; p is 0 to 4; X is a carbon atom or nitrogen atom; and X1 to X4 is a lower alkyl et al], or pharmaceutical acceptable salts thereof. These have a potency antagonistic to binding to histamine H3 receptor, or have a potency inhibiting the constant activity of histamine H3 receptor, and are useful in the therapy of obesity, diabetes et al.

  化合物的公式为(I)[其中，A代表公式(III-1)，R3为氢，低碳基等；m为0或1；R1为氢原子，卤原子等，R2为氢等；p为0到4；X为碳原子或氮原子；X1到X4为低碳基等]，或其药学上可接受的盐。这些化合物具有对组胺H3受体结合的拮抗活性，或具有抑制组胺H3受体恒定活性的活性，并可用于肥胖症、糖尿病等疾病的治疗。
• PYRIDINE AND PYRIMIDINE BASED COMPOUNDS AS WNT SIGNALING PATHWAY INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：McDonald Edward

  公开号：US20110190297A1

  公开（公告）日：2011-08-04

  The present invention relates to pyridine and pyrimidine based compounds, pharmaceutical compositions comprising these compounds and their potential use as therapeutic agents for the treatment and/or prevention of cancer.

  本发明涉及以吡啶和嘧啶为基础的化合物，包括这些化合物的药物组合物以及它们作为治疗和/或预防癌症的治疗剂的潜在用途。