1-(3-chlorophenyl)-2-(2-methylthio-4-pyrimidyl) ethanone | 616196-35-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3-chlorophenyl)-2-(2-methylthio-4-pyrimidyl) ethanone
• 英文别名: 1-(3-chlorophenyl)-2-(2-methylthiopyrimidin-4-yl)-ethanone；1-(3-Chlorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one；1-(3-chlorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
• CAS: 616196-35-1
• 化学式: C₁₃H₁₁ClN₂OS
• 分子量: 278.762
• InChiKey: HUTIKZOOQHDVAL-UHFFFAOYSA-N

物化性质

• 沸点：
  456.3±30.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-chlorophenyl)-2-(2-methylthio-4-pyrimidyl) ethanone 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Pyrazolopyrimidines and pyrazolotriazines with potent activity against herpesviruses

  摘要：

  Synthesis of several pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][ 1,3,5]triazines with potent activity against herpes simplex viruses is described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity are highlighted. Several compounds with in vitro antiviral activity similar or better than acyclovir are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.009
• 作为产物：
  描述：

  4-甲基-2-甲硫基嘧啶 、 3-氯苯甲酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 1-(3-chlorophenyl)-2-(2-methylthio-4-pyrimidyl) ethanone
  参考文献：
  名称：

  Pyrazolopyrimidines and pyrazolotriazines with potent activity against herpesviruses

  摘要：

  Synthesis of several pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][ 1,3,5]triazines with potent activity against herpes simplex viruses is described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity are highlighted. Several compounds with in vitro antiviral activity similar or better than acyclovir are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.009

文献信息

• [EN] NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS<br/>[FR] NOUVEAUX DERIVES D'IMIDAZOLE ET LEUR UTILISATION COMME AGENTS PHARMACEUTIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005040154A1

  公开（公告）日：2005-05-06

  Compounds of the general formula (I) are valuable therapeutics for the treatment of cancer and cancer related diseases.

  通式（I）的化合物对于治疗癌症和与癌症相关的疾病非常有价值。
• 2-(2,6-dichlorophenyl)-diarylimidazoles
  申请人：——

  公开号：US20030199691A1

  公开（公告）日：2003-10-23

  1 The invention is directed to compounds of formula (I), which are valuable therapeutics for the treatment of cancer and related diseases.

  这项发明涉及到式(I)的化合物，这些化合物对于治疗癌症和相关疾病非常有价值。
• 2-(2,6-Dichlorophenyl)-Diarylimidazoles
  申请人：——

  公开号：US20040214874A1

  公开（公告）日：2004-10-28

  1 This invention is directed to compounds of formula (I), which are valuable therapeutics for the treatment of cancer and cancer related diseases.

  这项发明涉及式（I）的化合物，它们是治疗癌症和癌症相关疾病的有价值的治疗药物。
• Novel imidazole derivatives and their use as pharmaceutical agents
  申请人：Honold Konrad

  公开号：US20050113342A1

  公开（公告）日：2005-05-26

  Compounds of the general formula (I) are presented which arevaluable therapeutics for the treatment of cancer and cancer related diseases.

  提供了通式为（I）的化合物，它们是治疗癌症和癌症相关疾病的有价值的药物。
• Pyrazine Derivatives Useful as Adenosine Receptor Antagonists
  申请人：Vidal Juan Bernat

  公开号：US20090042891A1

  公开（公告）日：2009-02-12

  The present disclosure relates to a compound of formula (I) wherein: A is an optionally substituted monocyclic or polycyclic aryl or heteroaryl group; B is an optionally substituted monocyclic nitrogen-containing heteroaryl group; and either a) R 1 and R 2 are chosen from a hydrogen atom and specified substituents, or b) R 2 , R 1 and the —NH— group to which R 1 is attached, form a moiety chosen from the moiety of formulae (IIa) and (IIb): or a pharmaceutically acceptable salt thereof, or a N-oxide thereof. The present disclosure also relates to a method for treating a subject afflicted with a pathological condition or disease susceptible to amelioration by antagonism of the A 2B adenosine receptor.

  本公开涉及一种式（I）的化合物，其中：A是可选取的取代的单环或多环芳基或杂芳基基团；B是可选取的取代的单环含氮杂芳基基团；并且要么a）R1和R2选择自氢原子和指定的取代基，要么b）R2、R1和R1附着的—NH—基团形成式（IIa）和（IIb）的基团：或其药学上可接受的盐或其N-氧化物。本公开还涉及一种治疗患有病理状况或疾病，易于通过拮抗A2B腺苷受体而改善的受试者的方法。