5-(4-bromo-8-methoxy-2,2-dimethyl-2H-chromen-6-ylmethyl)-pyrimidine-2,4-diamine | 371974-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-(4-bromo-8-methoxy-2,2-dimethyl-2H-chromen-6-ylmethyl)-pyrimidine-2,4-diamine
• 英文别名: 5-[(4-bromo-8-methoxy-2,2-dimethylchromen-6-yl)methyl]pyrimidine-2,4-diamine
• CAS: 371974-97-9
• 化学式: C₁₇H₁₉BrN₄O₂
• 分子量: 391.267
• InChiKey: CIEOBODUUABEGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-bromo-8-methoxy-2,2-dimethyl-2H-chromen-6-ylmethyl)-3-phenylamino-acrylonitrile 、 盐酸胍 、 potassium tert-butylate 在 氩 、 ice 、 乙酸乙酯 、 水 、 Brine 、 magnesium sulfate 、 SiO2 、 methanol-dichloromethane 、 乙醚 作用下， 以 乙醇 为溶剂， 反应 14.0h， 以afforded 186 mg of the title compound as light-yellow crystals, mp.238-239°的产率得到5-(4-bromo-8-methoxy-2,2-dimethyl-2H-chromen-6-ylmethyl)-pyrimidine-2,4-diamine
  参考文献：
  名称：

  Chromenylmethyl pyrimidinediamines as antibacterial agents

  摘要：

  本发明涉及一般式(I)的取代色酮衍生物，其中R1-R4如规范和要求中所定义。该发明还涉及这些化合物的药学上可接受的酸加盐，它们作为治疗活性物质的用途；基于这些物质的药物，可选择与磺胺类药物组合使用；以及它们的生产；这些物质作为药物和用于生产抗菌药物；以及制造式(I)化合物及其药学上可接受的酸加盐和制造中间体的用途。

  公开号：

  US06818649B2

文献信息

• CHROMENYLMETHYLPYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS
  申请人：Basilea Pharmaceutica AG

  公开号：EP1278742A1

  公开（公告）日：2003-01-29
• US6818649B2
  申请人：——

  公开号：US6818649B2

  公开（公告）日：2004-11-16
• [EN] CHROMENYLMETHYL PYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS<br/>[FR] CHROMENYLMETHYL PYRIMIDINEAMINES COMME AGENTS ANTIBACTERIENS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001083476A1

  公开（公告）日：2001-11-08

  This invention is concerned with substituted chromene derivatives of the general formula (I) in which R1 represents alkyl or cycloalkylalkyl, R?2 and R3¿ each independently represent alkyl or cycloalkyl or taken together with the adjacent carbon atom represent a saturated 3- to 6- membered carbocyclic or heterocyclic ring, the alkyl, cycloalkyl, carbocyclic or heterocyclic ring being unsubstituted or substituted, and R4 represents hydrogen, halogen cyano, alkyl, alkylthio, alkenyl, alkynyl, hydroxyalkyl, hydroxyalkynyl, alkoxyalkyl, alkoxyalkynyl, trialkylsilyl, aryl or heteroaryl, and pharmaceutically acceptable acid addition salts of these compounds, their use as therapeutically active substances; medicaments based on these substances, optionally in combination with sulphonamides, and their production; the use of these substances as medicaments and for the production of antibacterially-active medicaments; as well as the manufacture of the compounds of formula (I) and their pharmaceutically acceptable acid addition salts and intermediates for their manufacture.