• 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

(2S,3R)-叔丁基 N-[4-(N-苄基-4-氟苯磺酰胺基)-3-羟基-1-苯基丁-2-基]氨基甲酸酯

(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluoro-benzene-sulfonamido)-3-hy-droxy-1-phenyl-butan-2-yl]carbamate.

作者信息

Moreth Marcele, de Souza Marcus V N, Wardell James L, Wardell Solange M S V, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1138-9. doi: 10.1107/S1600536812011440. Epub 2012 Mar 21.

DOI:10.1107/S1600536812011440
PMID:22606087
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344084/
Abstract

In the title mol-ecule, C(28)H(33)FN(2)O(5)S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp(2)-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hy-droxy group lie to either side of the C(2)NS plane, whereas the benzyl-phenyl (connected to the N atom) and carbamate substituents lie to the other side. Supra-molecular layers propagating in the ac plane are found in the crystal, linked by hy-droxy-sulfonamide O-H⋯O and carbamate-carbamate N-H⋯O hydrogen bonds along with C-H⋯O and C-H⋯π inter-actions.

摘要

在标题分子C(28)H(33)FN(2)O(5)S中,叔胺基团周围的平均平面(在sp(2)杂化N原子处所张角度之和 = 359.7°)与氨基甲酸酯基团相邻的苯环形成16.66 (6)°的二面角。磺酰胺苯环和羟基位于C(2)NS平面的两侧,而苄基苯基(连接到N原子)和氨基甲酸酯取代基位于另一侧。在晶体中发现了沿ac平面传播的超分子层,通过羟基 - 磺酰胺O - H⋯O和氨基甲酸酯 - 氨基甲酸酯N - H⋯O氢键以及C - H⋯O和C - H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/6261b03d9d5a/e-68-o1138-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/943c875a55bd/e-68-o1138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/2a11012bc732/e-68-o1138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/5cfd858b1d79/e-68-o1138-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/6261b03d9d5a/e-68-o1138-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/943c875a55bd/e-68-o1138-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/2a11012bc732/e-68-o1138-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/5cfd858b1d79/e-68-o1138-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f1f/3344084/6261b03d9d5a/e-68-o1138-fig4.jpg

相似文献

1
(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluoro-benzene-sulfonamido)-3-hy-droxy-1-phenyl-butan-2-yl]carbamate.(2S,3R)-叔丁基 N-[4-(N-苄基-4-氟苯磺酰胺基)-3-羟基-1-苯基丁-2-基]氨基甲酸酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1138-9. doi: 10.1107/S1600536812011440. Epub 2012 Mar 21.
2
tert-Butyl N-[3-hy-droxy-1-phenyl-4-(pyrimidin-2-ylsulfan-yl)butan-2-yl]carbamate monohydrate.N-[3-羟基-1-苯基-4-(嘧啶-2-基硫烷基)丁-2-基]氨基甲酸叔丁酯一水合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2313-4. doi: 10.1107/S1600536811031850. Epub 2011 Aug 11.
3
Benzyl N-(2-hy-droxy-1-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate.N-(2-羟基-1-{N'-[(1E)-2-羟基苄叉基]肼羰基}乙基)苄基氨基甲酸酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1866-7. doi: 10.1107/S1600536811025128. Epub 2011 Jun 30.
4
tert-Butyl N-((1S)-2-hy-droxy-1-{N'-[(E)-2-hy-droxy-4-meth-oxy-benzyl-idene]hydrazinecarbon-yl}eth-yl)carbamate.叔丁基 N-((1S)-2-羟基-1-{N'-[(E)-2-羟基-4-甲氧基苄叉基]肼羰基}乙基)氨基甲酸酯。
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1888-9. doi: 10.1107/S1600536811025293. Epub 2011 Jul 2.
5
(2Z)-3-(4-Fluoro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.(2Z)-3-(4-氟苯胺基)-1-(5-羟基-3-甲基-1-苯基-1H-吡唑-4-基)丁-2-烯-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o764. doi: 10.1107/S1600536812006514. Epub 2012 Feb 17.
6
N-{(2S)-3-Hy-droxy-4-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]-1-phenyl-2-but-yl}-4-methyl-benzene-sulfonamide.N-{(2S)-3-羟基-4-[(5-甲基-1,3,4-噻二唑-2-基)硫烷基]-1-苯基丁-2-基}-4-甲基苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2447-8. doi: 10.1107/S1600536811033575. Epub 2011 Aug 27.
7
4-{(4Z)-4-[(2Z)-3-(4-Fluoro-anilino)-1-hy-droxy-but-2-en-1-yl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-benzene-sulfonamide.4-{(4Z)-4-[(2Z)-3-(4-氟苯胺基)-1-羟基丁-2-烯-1-亚基]-3-甲基-5-氧代-4,5-二氢-1H-吡唑-1-基}-苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o762-3. doi: 10.1107/S1600536812006502. Epub 2012 Feb 17.
8
5-[(E)-4-Fluoro-benzyl-idene]-8-(4-fluoro-phen-yl)-2-hy-droxy-9-phenyl-3,10-diaza-hexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(20),12,14,16,18-pentaen-6-one.5-[(E)-4-氟-亚苄基]-8-(4-氟-苯基)-2-羟基-9-苯基-3,10-二氮杂-六环-[10.7.1.1.0.0.0]二十一碳-1(20),12,14,16,18-五烯-6-酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2879-80. doi: 10.1107/S1600536811040633. Epub 2011 Oct 8.
9
Benzyl N-(1-{N'-[(E)-2-chloro-benzyl-idene]hydrazinecarbon-yl}-2-hy-droxy-eth-yl)carbamate.苄基 N-(1-{N'-[(E)-2-氯苄叉基]肼羰基}-2-羟基乙基)氨基甲酸酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1868-9. doi: 10.1107/S1600536811024895. Epub 2011 Jun 30.
10
Methyl (2Z)-2-({N-[2-(hy-droxy-meth-yl)phen-yl]-4-methyl-benzene-sulfonamido}-meth-yl)-3-phenyl-prop-2-enoate.(2Z)-2-({N-[2-(羟甲基)苯基]-4-甲基苯磺酰胺基}甲基)-3-苯基-2-丙烯酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o418-9. doi: 10.1107/S1600536812000864. Epub 2012 Jan 14.

本文引用的文献

1
Synthesis and antimycobacterial activity of novel amino alcohols containing central core of the anti-HIV drugs lopinavir and ritonavir.新型含抗 HIV 药物洛匹那韦和利托那韦核心结构的氨基醇的合成与抗结核活性。
Chem Biol Drug Des. 2011 Dec;78(6):1031-4. doi: 10.1111/j.1747-0285.2011.01244.x. Epub 2011 Oct 28.
2
Synthesis and anti-mycobacterial activity of novel amino alcohol derivatives.新型氨基醇衍生物的合成及抗分枝杆菌活性。
Eur J Med Chem. 2011 Mar;46(3):974-8. doi: 10.1016/j.ejmech.2011.01.004. Epub 2011 Jan 13.
3
Synthesis and antitubercular activity of novel Schiff bases derived from d-mannitol.
源自d-甘露糖醇的新型席夫碱的合成及其抗结核活性
Carbohydr Res. 2009 Oct 12;344(15):2042-7. doi: 10.1016/j.carres.2009.08.006. Epub 2009 Aug 11.
4
Design, synthesis, and evaluation of novel ethambutol analogues.新型乙胺丁醇类似物的设计、合成与评价
Bioorg Med Chem Lett. 2008 Mar 1;18(5):1607-11. doi: 10.1016/j.bmcl.2008.01.065. Epub 2008 Jan 19.
5
Promising drugs against tuberculosis.有前景的抗结核药物。
Recent Pat Antiinfect Drug Discov. 2006 Jan;1(1):33-44. doi: 10.2174/157489106775244163.
6
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.