• 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

DNA结合型辐射防护剂甲基丙胺的水合物和二水合物形式的结构

Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl-pro-amine.

作者信息

White Jonathan Michael, Brydon Samuel Charles, Fellowes Thomas

机构信息

School of Chemistry and BIO-21 Institute, University of Melbourne, Parkville, VIC 3010, Melbourne, Australia.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Nov 30;74(Pt 12):1903-1907. doi: 10.1107/S2056989018016791. eCollection 2018 Dec 1.

DOI:10.1107/S2056989018016791
PMID:30574398
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6281125/
Abstract

Methyl pro-amine {,,3-trimethyl-4-[6-(4-methyl-piperazin-1-yl)-1,3'-[2,5'-bibenzo[]imidazol]-2'-yl]aniline}, CHNO, crystallized as both a dihydrate, CHN·2HO, and monohydrate, CHN·HO, form from water in the presence of β-cyclo-dextrin, in the 2/ and 2/ space groups, respectively. The two structures adopt different conformations and tautomeric forms as a result of the differing crystal packing as dictated by hydrogen-bonding inter-actions. The dihydrate crystallizes as a three-dimensional hydrogen-bonded network, while the monohydrate crystallizes as a two-dimensional hydrogen-bonded network.

摘要

甲基丙胺{,,3 - 三甲基 - 4 - [6 - (4 - 甲基 - 哌嗪 - 1 - 基)-1,3'-[2,5'-联苯并[]咪唑]-2'-基]苯胺}，化学式为CHNO，在β - 环糊精存在的情况下，分别以二水合物CHN·2HO和一水合物CHN·HO的形式从水中结晶，空间群分别为2/和2/。由于氢键相互作用决定的不同晶体堆积，这两种结构呈现出不同的构象和互变异构形式。二水合物结晶形成三维氢键网络，而一水合物结晶形成二维氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/092416ed489a/e-74-01903-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/4eff6166630c/e-74-01903-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/f5a829958c90/e-74-01903-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/e78df11d82bc/e-74-01903-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/606d065ce133/e-74-01903-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/960b8b5533a0/e-74-01903-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/a55ce0fcddd3/e-74-01903-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/d6cd9962e7bf/e-74-01903-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/54d9851fe1fb/e-74-01903-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/1eeab7bbd3d8/e-74-01903-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/092416ed489a/e-74-01903-fig10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/4eff6166630c/e-74-01903-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/f5a829958c90/e-74-01903-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/e78df11d82bc/e-74-01903-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/606d065ce133/e-74-01903-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/960b8b5533a0/e-74-01903-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/a55ce0fcddd3/e-74-01903-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/d6cd9962e7bf/e-74-01903-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/54d9851fe1fb/e-74-01903-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/1eeab7bbd3d8/e-74-01903-fig9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b16/6281125/092416ed489a/e-74-01903-fig10.jpg

相似文献

1
Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl-pro-amine.DNA结合型辐射防护剂甲基丙胺的水合物和二水合物形式的结构
Acta Crystallogr E Crystallogr Commun. 2018 Nov 30;74(Pt 12):1903-1907. doi: 10.1107/S2056989018016791. eCollection 2018 Dec 1.
2
Anhydrous versus hydrated N4-substituted 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions.无水与水合的N4-取代的1H-吡唑并[3,4-d]嘧啶-4,6-二胺：二维和三维中的氢键作用
Acta Crystallogr B. 2008 Oct;64(Pt 5):610-22. doi: 10.1107/S0108768108019903. Epub 2008 Sep 15.
3
Eight salt forms of sulfadiazine.磺胺嘧啶的八种盐形式。
Acta Crystallogr C Struct Chem. 2014 Sep;70(Pt 9):900-7. doi: 10.1107/S2053229614018725. Epub 2014 Aug 27.
4
Effect of methyl-ene ethyl-ene linkers on structural properties of -butyl and mesityl bis-(imidazolium) bromide salts.亚甲基-乙烯连接基对丁基和均三甲苯基双（咪唑鎓）溴盐结构性质的影响
Acta Crystallogr E Crystallogr Commun. 2022 Aug 16;78(Pt 9):905-911. doi: 10.1107/S2056989022008003. eCollection 2022 Sep 1.
5
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate.DOTAM-单酸二水合物两种多晶型物的晶体结构
Acta Crystallogr C Struct Chem. 2018 May 1;74(Pt 5):542-547. doi: 10.1107/S2053229618004631. Epub 2018 Apr 6.
6
Tautomerism troubles: proton transfer modifies the stereochemical assignments in diastereoisomeric structures of spiro-cyclic 5-methyl-2-imidazol-4-amine dimers.互变异构问题：质子转移改变了螺环5-甲基-2-咪唑-4-胺二聚体非对映异构体结构中的立体化学归属。
Acta Crystallogr E Crystallogr Commun. 2021 Nov 18;77(Pt 12):1311-1315. doi: 10.1107/S205698902100668X. eCollection 2021 Dec 1.
7
Syntheses, structures and characterization of isomorphous Co and Ni coordination polymers based on 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole and benzene-1,4-dicarboxylate.基于2-[(1H-咪唑-1-基)甲基]-6-甲基-1H-苯并咪唑和对苯二甲酸的同构钴和镍配位聚合物的合成、结构与表征
Acta Crystallogr C Struct Chem. 2017 Aug 1;73(Pt 8):645-651. doi: 10.1107/S2053229617010877. Epub 2017 Jul 31.
8
A dimer of bis-(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation.由二苯并 - 18 - 冠 - 6桥从同步辐射中跨越的双（N - 杂环卡宾）铑（I）中心二聚体。
Acta Crystallogr Sect E Struct Rep Online. 2013 Jan 1;69(Pt 1):m47-8. doi: 10.1107/S160053681204901X. Epub 2012 Dec 12.
9
Three-component reaction between isatoic anhydride, amine and meth-yl-subs-tituted furyl-acryl-alde-hydes: crystal structures of 3-benzyl-2-[()-2-(5-methylfuran-2-yl)vin-yl]-2,3-di-hydro-quinazolin-4(1)-one, 3-benzyl-2-[()-2-(furan-2-yl)-1-methyl-vin-yl]-2,3-di-hydro-quinazolin-4(1)-one and 3-(furan-2-ylmeth-yl)-2-[()-2-(furan-2-yl)-1-methyl-vin-yl]-2,3-di-hydro-quinazolin-4(1)-one.异吲哚啉酮、胺与甲基取代的呋喃基丙烯醛之间的三组分反应：3-苄基-2-[（Z）-2-（5-甲基呋喃-2-基）乙烯基]-2,3-二氢喹唑啉-4（1）-酮、3-苄基-2-[（Z）-2-（呋喃-2-基）-1-甲基乙烯基]-2,3-二氢喹唑啉-4（1）-酮和3-（呋喃-2-基甲基）-2-[（Z）-2-（呋喃-2-基）-1-甲基乙烯基]-2,3-二氢喹唑啉-4（1）-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Jul 13;74(Pt 8):1101-1106. doi: 10.1107/S2056989018009982. eCollection 2018 Aug 1.
10
A concise and efficient synthesis of amino-substituted (1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of six examples.氨基取代的(1H-苯并[d]咪唑-1-基)嘧啶杂化物的简洁高效合成：六个实例的合成序列以及分子和超分子结构
Acta Crystallogr C Struct Chem. 2019 Oct 1;75(Pt 10):1405-1416. doi: 10.1107/S2053229619012087. Epub 2019 Sep 25.

本文引用的文献

1
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
2
PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors.柏拉图挤压法：一种用于计算无序溶剂对计算得到的结构因子贡献的工具。
Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):9-18. doi: 10.1107/S2053229614024929. Epub 2015 Jan 1.
3
In vitro studies with methylproamine: a potent new radioprotector.
甲基丙胺的体外研究：一种强效新型辐射防护剂。
Cancer Res. 2004 Feb 1;64(3):1067-70. doi: 10.1158/0008-5472.can-03-2423.
4
Binding of Hoechst 33258 to the minor groove of B-DNA.Hoechst 33258与B型DNA小沟的结合。
J Mol Biol. 1987 Sep 20;197(2):257-71. doi: 10.1016/0022-2836(87)90123-9.