• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

相似文献

1
1,4-Thienodiazepine-2,5-diones via MCR (II): scaffold hopping by Gewald and Ugi-deprotection-cyclization strategy.1,4-噻吩并二氮杂*-2,5-二酮通过 MCR（II）： Gewald 和 Ugi 脱保护-环化策略的支架跳跃。
Chem Biol Drug Des. 2010 Aug;76(2):130-41. doi: 10.1111/j.1747-0285.2010.00990.x. Epub 2010 Jun 9.
2
1,4-Thienodiazepine-2,5-diones via MCR (I): synthesis, virtual space and p53-Mdm2 activity.1,4-噻吩并二氮杂*-2,5-二酮通过 MCR（I）合成：虚拟空间与 p53-Mdm2 活性。
Chem Biol Drug Des. 2010 Aug;76(2):116-29. doi: 10.1111/j.1747-0285.2010.00989.x. Epub 2010 May 18.
3
Multicomponent Petasis Reaction for the Synthesis of Functionalized 2-Aminothiophenes and Thienodiazepines.多组分 Petasis 反应在功能化 2-氨基噻吩和噻吩并二氮杂中的合成。
ACS Comb Sci. 2020 Oct 12;22(10):495-499. doi: 10.1021/acscombsci.0c00173. Epub 2020 Sep 28.
4
Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge.2015年D3R大挑战中诱导契合和柔性靶点虚拟筛选的优化策略
J Comput Aided Mol Des. 2016 Sep;30(9):695-706. doi: 10.1007/s10822-016-9941-0. Epub 2016 Aug 29.
5
De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.通过计算鉴定铰链区域结合片段对蛋白激酶抑制剂进行从头设计。
ACS Chem Biol. 2013 May 17;8(5):1044-52. doi: 10.1021/cb300729y. Epub 2013 Mar 27.
6
Identification and X-ray co-crystal structure of a small-molecule activator of LFA-1-ICAM-1 binding.LFA-1与ICAM-1结合的小分子激活剂的鉴定及X射线共晶体结构
Angew Chem Int Ed Engl. 2014 Apr 22;53(17):4322-6. doi: 10.1002/anie.201310240. Epub 2014 Apr 1.
7
Scaffold-focused virtual screening: prospective application to the discovery of TTK inhibitors.支架靶点虚拟筛选：在 TTK 抑制剂发现中的前瞻性应用。
J Chem Inf Model. 2013 May 24;53(5):1100-12. doi: 10.1021/ci400100c. Epub 2013 May 14.
8
Rapid access to N-substituted diketopiperazines by one-pot Ugi-4CR/deprotection+activation/cyclization (UDAC).通过一锅法乌吉四组分反应/脱保护+活化/环化（UDAC）快速合成N-取代二酮哌嗪
J Comb Chem. 2009 Nov-Dec;11(6):1078-82. doi: 10.1021/cc900106u.
9
Structure of the human autophagy initiating kinase ULK1 in complex with potent inhibitors.与强效抑制剂结合的人类自噬起始激酶ULK1的结构
ACS Chem Biol. 2015 Jan 16;10(1):257-61. doi: 10.1021/cb500835z. Epub 2015 Jan 6.
10
Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.Ugi-叠氮反应中的双功能砌块：探索新分子多样性的一般策略。
Org Biomol Chem. 2013 Sep 28;11(36):6036-46. doi: 10.1039/c3ob40900g.

引用本文的文献

1
Design, Synthesis, and Biological Evaluation of 2-Hydroxy-4-phenylthiophene-3-carbonitrile as PD-L1 Antagonist and Its Comparison to Available Small Molecular PD-L1 Inhibitors.设计、合成及 2-羟基-4-苯基噻吩-3-甲腈作为 PD-L1 拮抗剂的生物学评价及其与现有小分子 PD-L1 抑制剂的比较。
J Med Chem. 2023 Jul 27;66(14):9577-9591. doi: 10.1021/acs.jmedchem.3c00254. Epub 2023 Jul 14.
2
Synthesis of Constrained Heterocycles Employing Two Post-Ugi Cyclization Methods for Rapid Library Generation with In Cellulo Activity.利用两种Ugi反应后环化方法合成受限杂环以快速构建具有细胞内活性的化合物库。
ChemistrySelect. 2017 Dec 11;2(35):11821-11825. doi: 10.1002/slct.201702179. Epub 2017 Dec 19.
3
Privileged diazepine compounds and their emergence as bromodomain inhibitors.特殊的二氮杂卓化合物及其作为溴结构域抑制剂的出现。
Chem Biol. 2014 May 22;21(5):573-83. doi: 10.1016/j.chembiol.2014.03.004. Epub 2014 Apr 17.
4
Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics.基于异氰化物的多组分反应合成环状约束肽类似物。
Beilstein J Org Chem. 2014 Mar 4;10:544-98. doi: 10.3762/bjoc.10.50. eCollection 2014.
5
Ugi/Robinson-Gabriel reactions directed toward the synthesis of 2,4,5-trisubstituted oxazoles.用于合成2,4,5-三取代恶唑的乌吉/罗宾逊-加布里埃尔反应
Tetrahedron Lett. 2012 Apr 11;53(15):1998-2000. doi: 10.1016/j.tetlet.2012.02.030. Epub 2012 Feb 13.
6
Chemistry and biology of multicomponent reactions.多组分反应的化学与生物学
Chem Rev. 2012 Jun 13;112(6):3083-135. doi: 10.1021/cr100233r. Epub 2012 Mar 22.

本文引用的文献

1
1,4-Thienodiazepine-2,5-diones via MCR (I): synthesis, virtual space and p53-Mdm2 activity.1,4-噻吩并二氮杂*-2,5-二酮通过 MCR（I）合成：虚拟空间与 p53-Mdm2 活性。
Chem Biol Drug Des. 2010 Aug;76(2):116-29. doi: 10.1111/j.1747-0285.2010.00989.x. Epub 2010 May 18.
2
The Gewald multicomponent reaction.格瓦尔德多组分反应。
Mol Divers. 2011 Feb;15(1):3-33. doi: 10.1007/s11030-010-9229-6. Epub 2010 Feb 27.
3
(-)-Bacillamide C: the convergent approach.(-)-Bacillamide C：汇聚法。
Org Biomol Chem. 2010 Feb 7;8(3):529-32. doi: 10.1039/b918214d. Epub 2009 Nov 26.
4
Cyanoacetamide MCR (III): three-component Gewald reactions revisited.氰基乙酰胺MCR（III）：对三组分格瓦尔德反应的重新审视
J Comb Chem. 2010 Jan-Feb;12(1):111-8. doi: 10.1021/cc9001586.
5
Microwave-assisted fluorous synthesis of a 1,4-benzodiazepine-2,5-dione library.微波辅助的1,4-苯并二氮杂卓-2,5-二酮库的氟相合成
J Comb Chem. 2009 Nov-Dec;11(6):1083-93. doi: 10.1021/cc900109e.
6
Benzothiophene inhibitors of MK2. Part 1: structure-activity relationships, assessments of selectivity and cellular potency.MK2的苯并噻吩抑制剂。第1部分：构效关系、选择性评估及细胞活性。
Bioorg Med Chem Lett. 2009 Aug 15;19(16):4878-81. doi: 10.1016/j.bmcl.2009.02.015. Epub 2009 Feb 8.
7
Synthesis of benzodiazepine beta-turn mimetics by an Ugi 4CC/Staudinger/aza-Wittig sequence. Solving the conformational behavior of the Ugi 4CC adducts.通过 Ugi 四组分反应/Staudinger 反应/aza-Wittig 反应序列合成苯并二氮䓬β-转角模拟物。解决 Ugi四组分反应加合物的构象行为。
J Org Chem. 2009 Mar 6;74(5):2189-92. doi: 10.1021/jo8025862.
8
Solid-phase synthesis of 4-methylcarboxy-1,4-benzodiazepine-2,5-diones.4-甲基羧基-1,4-苯并二氮杂卓-2,5-二酮的固相合成
J Comb Chem. 2008 Nov-Dec;10(6):869-74. doi: 10.1021/cc800085d. Epub 2008 Sep 27.
9
Privileged structures: a useful concept for the rational design of new lead drug candidates.特权结构：新先导药物候选物合理设计的有用概念。
Mini Rev Med Chem. 2007 Nov;7(11):1108-19. doi: 10.2174/138955707782331722.
10
Design, synthesis and biological evaluation of 1,4-benzodiazepine-2,5-dione-based HDAC inhibitors.基于1,4-苯并二氮杂卓-2,5-二酮的组蛋白去乙酰化酶抑制剂的设计、合成及生物学评价
Bioorg Med Chem Lett. 2007 Sep 1;17(17):4819-23. doi: 10.1016/j.bmcl.2007.06.067. Epub 2007 Jun 27.

1,4-噻吩并二氮杂*-2,5-二酮通过 MCR（II）： Gewald 和 Ugi 脱保护-环化策略的支架跳跃。

1,4-Thienodiazepine-2,5-diones via MCR (II): scaffold hopping by Gewald and Ugi-deprotection-cyclization strategy.

机构信息

Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.

出版信息

Chem Biol Drug Des. 2010 Aug;76(2):130-41. doi: 10.1111/j.1747-0285.2010.00990.x. Epub 2010 Jun 9.

DOI:10.1111/j.1747-0285.2010.00990.x
PMID:20545946
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2913473/
Abstract

A second scaffold of 1,4-thienodiazepine-2,5-diones was discovered and is synthetically accessible from Gewald 2-aminothiophenes via Ugi-Deprotection-Cyclization (UDC) strategy. This approach yielded hybrid peptidomimetic diazepine structures with six points of diversity introduced from readily available starting materials. A virtual compound library (N = 50 000) was generated and evaluated for chemical space distribution and drug-like properties.

摘要

发现了第二个 1,4-噻二氮杂二酮支架，并且可以通过 Gewald 2-氨基噻吩通过 Ugi-去保护-环化 (UDC) 策略合成。该方法从易得的起始原料中引入了六个多样性点，得到了混合的肽模拟二氮杂环庚烷结构。生成并评估了虚拟化合物文库（N = 50000）的化学空间分布和类药性。