(tert-butoxy)-N-[(4-2,4-dioxo(2,3-dihydroquinazolin-3-yl))phenyl]carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (tert-butoxy)-N-[(4-2,4-dioxo(2,3-dihydroquinazolin-3-yl))phenyl]carboxamide
• 英文别名: (Tert-butoxy)-n-[4-(2,4-dioxo(1,3-dihydroquinazolin-3-yl))phenyl]carboxamide；tert-butyl N-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]carbamate
• 化学式: C₁₉H₁₉N₃O₄
• 分子量: 353.378
• InChiKey: CHUDSPKCRLEVGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (tert-butoxy)-N-[(4-2,4-dioxo(2,3-dihydroquinazolin-3-yl))phenyl]carboxamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 N-[4-(2,4-dioxo(1,3-dihydroquinazolin-3-yl))phenyl]{[(5-chloro-3-fluoro(2-thienyl))sulfonyl]amino}carboxamide
  参考文献：
  名称：

  PLATELET ADP RECEPTOR INHIBITORS

  摘要：

  公开号：

  EP2314593B1
• 作为产物：
  描述：

  2-氯苯甲酸 在 氨 、 potassium carbonate 、 copper(I) bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 (tert-butoxy)-N-[(4-2,4-dioxo(2,3-dihydroquinazolin-3-yl))phenyl]carboxamide
  参考文献：
  名称：

  An efficient solid phase synthetic route to 1,3-disubstituted 2,4(1H,3H)-Quinazolinediones suitable for combinatorial synthesis

  摘要：

  Novel, efficient solid phase chemistry has been developed for the synthesis of 1,3-disubstituted quinazolinediones. Anthranilic acids are linked to a chloroformate resin through the nitrogen, amines are coupled to the free carboxylic acid, and thermal cyclization leads to heterocycle formation and concommitant resin release resulting in traceless linkage. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00253-3

文献信息

• Platelet ADP receptor inhibitors
  申请人：——

  公开号：US20020077486A1

  公开（公告）日：2002-06-20

  Novel compounds of formulae (I) to (VIII), which more particularly include sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives which are effective platelet ADP receptor inhibitors. These derivatives may be used in various pharmaceutical compositions, and are particularly effective for the prevention and/or treatment of cardiovascular diseases, particularly those diseases related to thrombosis. The invention also relates to a method for preventing or treating thrombosis in a mammal comprising the step of administering a therapeutically effective amount of a compound of formulae (I) to (VIII), or a pharmaceutically acceptable salt thereof.

  公式（I）至（VIII）的新化合物，其中更具体地包括磺酰脲衍生物、磺酰硫脲衍生物、磺酰胍衍生物、磺酰氰基胍衍生物、硫代酰基磺酰胺衍生物和酰基磺酰胺衍生物，这些衍生物是有效的血小板ADP受体抑制剂。这些衍生物可以用于各种药物组合物中，特别是对于预防和/或治疗心血管疾病特别有效，尤其是与血栓形成有关的疾病。本发明还涉及一种预防或治疗哺乳动物血栓形成的方法，包括给予公式（I）至（VIII）的化合物或其药学上可接受的盐的治疗有效量。
• An efficient solid phase synthetic route to 1,3-disubstituted 2,4(1H,3H)-Quinazolinediones suitable for combinatorial synthesis
  作者：Adrian L. Smith、Christopher G. Thomson、Paul D. Leeson

  DOI：10.1016/s0960-894x(96)00253-3

  日期：1996.7

  Novel, efficient solid phase chemistry has been developed for the synthesis of 1,3-disubstituted quinazolinediones. Anthranilic acids are linked to a chloroformate resin through the nitrogen, amines are coupled to the free carboxylic acid, and thermal cyclization leads to heterocycle formation and concommitant resin release resulting in traceless linkage. Copyright (C) 1996 Elsevier Science Ltd
• PLATELET ADP RECEPTOR INHIBITORS
  申请人：Portola Pharmaceuticals, Inc.

  公开号：EP2314593B1

  公开（公告）日：2016-05-04