7-amino-3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione | 97930-93-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-amino-3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione
• 英文别名: 7-amino-3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione；7-Aminoketanserin；7-amino-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
• CAS: 97930-93-3
• 化学式: C₂₂H₂₃FN₄O₃
• 分子量: 410.448
• InChiKey: ILHHRZFBHHWOGY-UHFFFAOYSA-N

物化性质

• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-amino-3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione 在 sodium hydroxide 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 为溶剂， 以0.120 parts (55%)的产率得到7-叠氮基酮色林
  参考文献：
  名称：

  Derivatives of hydroxy- or amino-substituted

  摘要：

  新颖的羟基或氨基取代的（哌啶基烷基）喹唑啉衍生物，可用作治疗患有根据发生过多血清素释放的血管床疾病的温血动物的药物。

  公开号：

  US04665075A1
• 作为产物：
  描述：

  3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-7-nitro-2,4(1H,3H)-quinazolinedione 生成 7-amino-3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione
  参考文献：
  名称：

  VANDENBERK, JAN;KENNIS, LUDO E. J.;MERTENS, J. C.

  摘要：

  DOI：

文献信息

• Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl)quinazolines
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0184258A2

  公开（公告）日：1986-06-11

  Novel derivatives of hydroxy- or amino-substituted (piperidinylalkyl) quinazolines of the formula wherein Q represents 1H-indol-3-yl or a radical -X-Ar; the pharmaceutically acceptable acid addition salts and possible stereochemically isomeric forms thereof, which compounds are serotonin antagonists; pharmaceutical compositions containing such compounds as an active ingredient and methods of preparing said compounds and pharmaceutical compositions.

  式中Q代表1H-吲哚-3-基或基-X-Ar的羟基或氨基取代的（哌啶基烷基）喹唑啉类的新型衍生物；其药学上可接受的酸加成盐和可能的立体化学异构体形式，这些化合物是5-羟色胺拮抗剂；含有这些化合物作为活性成分的药物组合物以及制备所述化合物和药物组合物的方法。
• In vitro labeling of serotonin-S2 receptors. Synthesis and binding characteristics of [3H]-7-aminoketanserin
  作者：Walter Wouters、Cornelus G. M. Janssen、Jacky Van Dun、Jos B. A. Thijssen、Pierre M. Laduron

  DOI：10.1021/jm00159a017

  日期：1986.9

  [3H]-7-Aminoketanserin (7-amino-3-[2-[4-(2-tritio-4-fluorobenzoyl)-1- piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione), an amino derivative of the selective serotonin-S2 antagonist ketanserin, was synthesized and tested for in vitro labeling of serotonin-S2 receptors. The compound showed a very high affinity for both membrane-bound and detergent-solubilized serotonin-S2 receptors with KD values of 0.35 and 2.03 nM, respectively. At nanomolar concentrations, binding to serotonin-S1 sites was totally absent. Serotonin-S2 receptor binding was characterized by a slow dissociation and a very low nonspecific binding. In rat frontal cortex preparations, binding could be displaced by nanomolar concentrations of different serotonin antagonists and micromolar concentrations of serotonin agonists. Compounds with other pharmacological profiles were poorly or not active. Introduction of an amino function in this new radioligand led to a decreased lipophilicity. Therefore, besides being a valuable radioligand for routine binding studies, [3H]-7-aminoketanserin will probably be a good ligand for labeling serotonin-S2 receptors on intact cells.
• VANDENBERK, JAN;KENNIS, LUDO E. J.;MERTENS, J. C.
  作者：VANDENBERK, JAN、KENNIS, LUDO E. J.、MERTENS, J. C.

  DOI：——

  日期：——
• NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS
  申请人：VM Discovery, Inc.

  公开号：EP2073799A2

  公开（公告）日：2009-07-01
• US4665075A
  申请人：——

  公开号：US4665075A

  公开（公告）日：1987-05-12