6-Chlor-4-phenyl-2-thioxo-1,2,3,4-tetrahydrochinazolin | 77485-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-Chlor-4-phenyl-2-thioxo-1,2,3,4-tetrahydrochinazolin
• 英文别名: 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione；6-chloro-4-phenyl-3,4-dihydro-1H-quinazoline-2-thione
• CAS: 77485-02-0
• 化学式: C₁₄H₁₁ClN₂S
• 分子量: 274.774
• InChiKey: AXASONGHEVUXIT-UHFFFAOYSA-N

物化性质

• 熔点：
  225-227 °C
• 沸点：
  374.3±52.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-Chlor-4-phenyl-2-thioxo-1,2,3,4-tetrahydrochinazolin 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 9.5h， 生成 6-Chloro-2-(2-ethylidenehydrazino)-4-phenyl-1H-1,4-dihydroquinazoline
  参考文献：
  名称：

  Richter; Oertel, Pharmazie, 1990, vol. 45, # 10, p. 721 - 724

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-5-氯二苯甲酮 在 sodium amalgam 作用下， 以 盐酸 、 乙醇 为溶剂， 反应 10.5h， 生成 6-Chlor-4-phenyl-2-thioxo-1,2,3,4-tetrahydrochinazolin
  参考文献：
  名称：

  Richter; Oertel, Pharmazie, 1990, vol. 45, # 10, p. 721 - 724

  摘要：

  DOI：

文献信息

• Quinazoline derivatives, process for their preparation, their use as antimitotics and pharmaceutical compositions comprising said derivatives
  申请人：EMBL

  公开号：EP1655289A1

  公开（公告）日：2006-05-10

  The invention relates to quinazoline derivatives of formula (I) in which R1, X and A have the meanings as indicated, or to a pharmaceutically acceptable salt thereof, e.g. Such compounds are useful as modulators, in particular inhibitors, of the mitotic kinesin Eg5. i.e. the human protein (also called KSP), the Xenopus laevis homologue, further homologues from other species as well as allelic variants and functionally related proteins. The invention also relates to processes for their preparation, pharmaceutical compositions comprising said quinazoline derivatives, and the use of said quinazoline derivatives, in particular for treating diseases such as cancer.

  该发明涉及式(I)的喹唑啉衍生物，其中R1、X和A具有所示的含义，或其药学上可接受的盐，例如。这些化合物可用作有丝分裂动力蛋白Eg5的调节剂，特别是抑制剂。即人类蛋白（也称为KSP），非洲爪蟾同源物，来自其他物种的进一步同源物以及等位变体和功能相关蛋白。该发明还涉及其制备方法，包括所述喹唑啉衍生物的药物组合物，以及利用所述喹唑啉衍生物，特别是用于治疗癌症等疾病。
• Antiatherosclerotic substituted phenylquinazoline derivatives
  申请人：SANDOZ LTD.

  公开号：EP0564397A1

  公开（公告）日：1993-10-06

  The invention relates to substituted phenylquinazoline derivatives. It concerns the compounds of formula I wherein the substituents have various significances. They may be obtained by a process comprising dehydration, ring closure and/or alkylation, and optional recovery in racemic or optically active, in free base or acid addition salt form. They possess pharmacological activity, in particular,they raise the blood serum high density lipoprotein level and are thus indicated for use in the treatment of atherosclerosis.

  本发明涉及取代苯基喹唑啉衍生物。它涉及式I的化合物，其中取代基具有不同的意义。它们可以通过脱水、环闭和/或烷基化的过程获得，并可以在外消旋或光学活性、自由碱或酸盐形式中进行回收。它们具有药理活性，特别是能提高血清高密度脂蛋白水平，因此适用于动脉硬化的治疗。
• Synthesis, Structure and Transformations of 2-Iminoimidazolidines into Novel Fused Heterocyclic Ring Systems
  作者：Anita Kornicka、Franciszek Saczewski、Maria Gdaniec

  DOI：10.3987/com-06-10666

  日期：——

  Reaction of 2-chloro-4,5-dihydroimidazole (1) with 2-aminobenzylamines (2a-d) afforded 2-[(imidazolidin-2-ylideneamino)methyl]anilines (3a-d) which upon treatment with carbon disulfide gave 2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thiones (4a-d) and 3,4-dihydro-1H-quinazolin-2-thiones (5a-c). Analogous reaction of 1 with 2-aminobenzyl alcohol (6) led to the formation of [2-(4,5-dihydrol 1H-imidazol-2-ylamino)phenyl]methanol hydrochloride (7) which was transformed into 1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione (8).
• Spindler, Juergen; Kempter, Gerhard, Zeitschrift fur Chemie, 1987, vol. 27, # 1, p. 36 - 37
  作者：Spindler, Juergen、Kempter, Gerhard

  DOI：——

  日期：——
• Pflegel; Kuehmstedt; Richter, Pharmazie, 1981, vol. 36, # 1, p. 65 - 66
  作者：Pflegel、Kuehmstedt、Richter

  DOI：——

  日期：——