• 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

6-甲氧基-N-甲基-3-硝基-4-硝甲基-4H-色烯-2-胺

6-Meth-oxy-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

作者信息

Muthukumaran J, Parthiban A, Manivel P, Rao H Surya Prakash, Krishna R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1276-7. doi: 10.1107/S1600536811015595. Epub 2011 Apr 29.

DOI:10.1107/S1600536811015595
PMID:21754559
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089089/
Abstract

In the title compound, C(12)H(13)N(3)O(6), the dihydro-pyran ring adopts a near screw-boat conformation. The dihedral angle between the mean planes of the benzene and dihydro-pyran rings is 6.35 (5)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O, N-H⋯O and C-H⋯π hydrogen bonds contribute to the stabilization of the packing.

摘要

在标题化合物C(12)H(13)N(3)O(6)中，二氢吡喃环呈近似船式构象。苯环和二氢吡喃环平均平面之间的二面角为6.35 (5)°。分子内N—H⋯O氢键形成一个S(6)环系，稳定了分子构象。在晶体中，弱的分子间C—H⋯O、N—H⋯O和C—H⋯π氢键有助于堆积结构的稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/097f1bba4a53/e-67-o1276-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/70a67646076c/e-67-o1276-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/c9f76e49402c/e-67-o1276-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/4f7c37484696/e-67-o1276-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/10b91dbeb055/e-67-o1276-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/097f1bba4a53/e-67-o1276-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/70a67646076c/e-67-o1276-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/c9f76e49402c/e-67-o1276-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/4f7c37484696/e-67-o1276-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/10b91dbeb055/e-67-o1276-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0512/3089089/097f1bba4a53/e-67-o1276-fig5.jpg

相似文献

1
6-Meth-oxy-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.6-甲氧基-N-甲基-3-硝基-4-硝甲基-4H-色烯-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1276-7. doi: 10.1107/S1600536811015595. Epub 2011 Apr 29.
2
6,8-Dichloro-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.6,8-二氯-N-甲基-3-硝基-4-硝甲基-4H-色烯-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o898-9. doi: 10.1107/S1600536811009366. Epub 2011 Mar 15.
3
4-[4-(Diethyl-amino)-phen-yl]-N-methyl-3-nitro-4H-chromen-2-amine.4-[4-(二乙氨基)-苯基]-N-甲基-3-硝基-4H-色烯-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1395-6. doi: 10.1107/S1600536811017338. Epub 2011 May 14.
4
Crystal structure of 4-(4-meth-oxy-phen-yl)-7,7-dimethyl-2-methyl-amino-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one.4-（4-甲氧基苯基）-7,7-二甲基-2-甲氨基-3-硝基-7,8-二氢-4H-色烯-5（6H）-酮的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 1;70(Pt 9):o901-2. doi: 10.1107/S160053681401589X. eCollection 2014 Sep 1.
5
7,7-Dimethyl-2-methyl-amino-4-(4-methyl-phenyl)-3-nitro-7,8-di-hydro-4H-chromen-5(6H)-one.7,7-二甲基-2-甲基氨基-4-(4-甲基苯基)-3-硝基-7,8-二氢-4H-色烯-5(6H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o710-1. doi: 10.1107/S1600536814010794. eCollection 2014 Jun 1.
6
4-(4-Meth-oxy-phen-yl)-6-methyl-amino-5-nitro-2-phenyl-4H-pyran-3-carbonitrile.4-（4-甲氧基苯基）-6-甲基氨基-5-硝基-2-苯基-4H-吡喃-3-腈
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o451. doi: 10.1107/S1600536813004923. Epub 2013 Feb 28.
7
Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.（2Z）-2-（2-氟-4-甲氧基-亚苄基）-5-（4-甲氧基苯基）-7-甲基-3-氧代-2,3-二氢-5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1913-4. doi: 10.1107/S1600536811025141. Epub 2011 Jul 6.
8
Ethyl 2-amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carboxyl-ate.2-氨基-4-（4-氟苯基）-6-甲氧基-4H-苯并[h]色烯-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1803-4. doi: 10.1107/S1600536812021939. Epub 2012 May 19.
9
(4S*)-2-Methyl-amino-3-nitro-4-(4-nitro-phen-yl)-5,6,7,8-tetra-hydro-4H-chromen-5-one.
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 3;69(Pt 9):o1380-1. doi: 10.1107/S1600536813021181. eCollection 2013.
10
4-{2-[2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-3,6-dihydro-2H-1,3,4-thia-diazin-5-yl}-3-(4-meth-oxy-phen-yl)sydnone.4-{2-[2-(4-氯-亚苄基)肼基-亚苄基]-3,6-二氢-2H-1,3,4-噻二嗪-5-基}-3-(4-甲氧基-苯基)西多酮。
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1175-6. doi: 10.1107/S1600536811013900. Epub 2011 Apr 22.

引用本文的文献

1
6-Ethyl-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.6-乙基-N-甲基-3-硝基-4-硝甲基-4H-色烯-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o180-1. doi: 10.1107/S1600536811053554. Epub 2011 Dec 21.
2
4-[4-(Diethyl-amino)-phen-yl]-N-methyl-3-nitro-4H-chromen-2-amine.4-[4-(二乙氨基)-苯基]-N-甲基-3-硝基-4H-色烯-2-胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1395-6. doi: 10.1107/S1600536811017338. Epub 2011 May 14.

本文引用的文献

1
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
2
Small molecule vascular disrupting agents: potential new drugs for cancer treatment.小分子血管破坏剂：癌症治疗的潜在新药。
Recent Pat Anticancer Drug Discov. 2007 Jan;2(1):79-101. doi: 10.2174/157489207779561462.
3
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
A chemical genetics approach for the discovery of apoptosis inducers: from phenotypic cell based HTS assay and structure-activity relationship studies, to identification of potential anticancer agents and molecular targets.一种用于发现细胞凋亡诱导剂的化学遗传学方法：从基于细胞表型的高通量筛选分析和构效关系研究，到潜在抗癌药物和分子靶点的鉴定。
Curr Med Chem. 2006;13(22):2627-44. doi: 10.2174/092986706778201521.
5
Structure-based discovery of an organic compound that binds Bcl-2 protein and induces apoptosis of tumor cells.基于结构发现一种结合Bcl-2蛋白并诱导肿瘤细胞凋亡的有机化合物。
Proc Natl Acad Sci U S A. 2000 Jun 20;97(13):7124-9. doi: 10.1073/pnas.97.13.7124.
6
Benzo-gamma-pyrone analogues of geiparvarin: synthesis and biological evaluation against B16 melanoma cells.
Anticancer Drug Des. 1993 Oct;8(5):349-60.