3-Chloro-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-thione

• 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: 3-Chloro-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-thione
• 英文别名: 3-Chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione
• 化学式: C₁₃H₁₃ClN₂S
• 分子量: 264.779
• InChiKey: HZJMNKSWEHKWFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基-4-氯苯甲酸 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 3-Chloro-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-thione
  参考文献：
  名称：

  Acetylcholinesterase inhibition by fused dihydroquinazoline compounds

  摘要：

  A new type of dihydroquinazoline-based inhibitor of acetylcholinesterase (AChE) is described. These compounds were designed to interact with the catalytic site of AChE in a manner similar to the known inhibitor tacrine, In a manner analogous to the potency enhancement obtained by addition of chlorine atoms to the tacrine molecule, a 3-chloro derivative of the parent hexahydroazepino[2,1-b]quinazoline structure was found to be about 8 times more potent as an AChE inhibitor than the unsubstituted compound.

  DOI：

  10.1016/0960-894x(96)00102-3

文献信息

• Quinazoline derivatives as acetylcholinesterase inhibitors
  申请人：Warner-Lambert Company

  公开号：US05486512A1

  公开（公告）日：1996-01-23

  A method of treating cognitive deficiencies is described by administering a quinazoline derivative of the general formula ##STR1## wherein A represents ##STR2## in which n is 1-10, P is a bond or (CH.sub.2).sub.m in which m is 0-10, and M is .dbd.O, .dbd.S, .dbd.NR, .dbd.CRR', ##STR3## novel compounds of the above are also described as well as methods of manufacture and pharmaceutical compositions.

  本发明描述了一种治疗认知缺陷的方法，通过给予一种通用公式为##STR1## 的喹唑啉衍生物，其中A代表##STR2##，其中n为1-10，P是键或(CH.sub.2).sub.m，其中m为0-10，M是.dbd.O，.dbd.S，.dbd.NR，.dbd.CRR'，还描述了上述新化合物以及制造方法和药物组成。
• [EN] QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1993003034A1

  公开（公告）日：1993-02-18

  (EN) A method of treating cognitive deficiencies is described by administering a quinazoline derivative of general formula (I) wherein A represents (IIa), (IIb), (IIc), (IId) or (IIe) in which n is 1-10, P is a bond or (CH2)m in which m is 0-10, and M is =O, =S, =NR, =CRR', (III); novel compounds of the above are also described as well as methods of manufacture and pharmaceutical compositions.(FR) L'invention décrit un procédé de traitement de déficiences cognitives au moyen de l'administration d'un dérivé de quinazoline représenté par la formule générale (I) dans laquelle A représente (IIa), (IIb), (IIc), (IId) ou (IIe) où n est 1-10, P représente une liaison ou (CH2)m où m est 0-10 et M représente =O, =S, =NR, =CRR', (III); l'invention décrit également de nouveaux composés comportant ledit dérivé, ainsi que des procédés de préparation et des compositions pharmaceutiques.

  一种治疗认知缺陷的方法被描述为给予一种喹唑啉衍生物，其通式为(I)，其中A代表(IIa)，(IIb)，(IIc)，(IId)或(IIe)，其中n为1-10，P为键或(CH2)m，其中m为0-10，M为=O，=S，=NR，=CRR'，(III)；还描述了上述的新化合物，以及制备方法和药物组合物。
• US5486512A
  申请人：——

  公开号：US5486512A

  公开（公告）日：1996-01-23
• Acetylcholinesterase inhibition by fused dihydroquinazoline compounds
  作者：Juan C. Jaén、Vlad E. Gregor、Chet Lee、Robert Davis、Mark Emmerling

  DOI：10.1016/0960-894x(96)00102-3

  日期：1996.3

  A new type of dihydroquinazoline-based inhibitor of acetylcholinesterase (AChE) is described. These compounds were designed to interact with the catalytic site of AChE in a manner similar to the known inhibitor tacrine, In a manner analogous to the potency enhancement obtained by addition of chlorine atoms to the tacrine molecule, a 3-chloro derivative of the parent hexahydroazepino[2,1-b]quinazoline structure was found to be about 8 times more potent as an AChE inhibitor than the unsubstituted compound.