2-[3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-cyclopenten-1-yl]-4(3H)-quinazolinone

• 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: 2-[3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-cyclopenten-1-yl]-4(3H)-quinazolinone
• 英文别名: 2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)cyclopent-1-enyl)quinazolin-4(3H)-one；2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
• 化学式: C₂₄H₂₃N₃O
• 分子量: 369.466
• InChiKey: HYCGKBODUXUFQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 2-[3-(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)-1-cyclopenten-1-yl]-4(3H)-quinazolinone
  参考文献：
  名称：

  Rational design of conformationally restricted quinazolinone inhibitors of poly(ADP-ribose)polymerase

  摘要：

  A successful design of conformationally restricted novel quinazolinone derivatives linked via a cyclopentene moiety as potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors has been developed. One selected member of the new series, 8-chloro-2-[(3 S)-3-(4-phenylpiperidin-1-yl)cyclopent-1-en-1-yl] quinazolin-4(3H)-one (S-16d), was found to be highly potent with IC50 = 8.7 nM and good brain penetration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.091

文献信息

• Quinazolinone derivative
  申请人：Ishida Junya

  公开号：US20050043333A1

  公开（公告）日：2005-02-24

  A quinazolinone derivatives having poly (adenosine 5′-diphospho-ribose) polymerase (PARP) inhibitory activity represented by the formula (I): wherein R 1 is substituted cyclic amino groups or optionally substituted amino group, R 2 is substituent, n means an integer of 0 to 4, and L 1 is (1) cyclo (lower) alkylene, (2) cyclo (lower) alkenylene, (3) diradical of saturated- or unsaturated monocyclic group with one or more nitrogen atom(s), which is obtained after removal of one hydrogen atom from said monocyclic group, or (4) —N(R 3 )—L 2 — (wherein R 3 is hydrogen or lower alkyl, and L 2 is lower alkylene or lower alkenylene), or its prodrug, or a salt thereof.

  具有聚腺苷酸二磷酸核糖酶（PARP）抑制活性的喹唑啉酮衍生物，其化学式表示为（I）：其中R1是取代的环氨基或可选取代的氨基基团，R2是取代基，n是0到4的整数，L1是（1）环（低）烷基，（2）环（低）烯基，（3）饱和或不饱和单环基的二自由基，其中该单环基上的一个或多个氢原子被去除后获得，或（4）—N（R3）—L2—（其中R3是氢或低烷基，L2是低烷基或低烯基烷基），或其前药，或其盐。