Di-chlorido - {(E) - n, N-dimethyl-2 [phen-yl (pyridin-2-yl) methyl-idene] hydrazine-1-carbo-thio-amide}镉(II)。

IUCrData Pub Date : 2025-05-30 eCollection Date: 2025-05-01 DOI:10.1107/S241431462500464X
Christian S Parry, Bernard Kwabi-Addo, Timothy R Ramadhar, Raymond J Butcher
{"title":"Di-chlorido - {(E) - n, N-dimethyl-2 [phen-yl (pyridin-2-yl) methyl-idene] hydrazine-1-carbo-thio-amide}镉(II)。","authors":"Christian S Parry, Bernard Kwabi-Addo, Timothy R Ramadhar, Raymond J Butcher","doi":"10.1107/S241431462500464X","DOIUrl":null,"url":null,"abstract":"<p><p>The structure of the title compound, [CdCl<sub>2</sub>(C<sub>15</sub>H<sub>16</sub>N<sub>4</sub>S)], at 100 K has monoclinic (<i>P</i>2<sub>1</sub>/<i>c</i>) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(<i>E</i>)-[phen-yl(pyridine-2-yl)methyl-idene]amino]-thio-urea (<i>L</i>, Bp44mT), is of inter-est with respect to anti-cancer activity, anti-viral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no inter-molecular or intra-molecular hydrogen bonding with the supra-molecular features being driven by hydro-phobic, π-π and long-range dispersion forces.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 5","pages":"x250464"},"PeriodicalIF":0.0000,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142383/pdf/","citationCount":"0","resultStr":"{\"title\":\"Di-chlorido-{(<i>E</i>)-<i>N</i>,<i>N</i>-dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbo-thio-amide}cadmium(II).\",\"authors\":\"Christian S Parry, Bernard Kwabi-Addo, Timothy R Ramadhar, Raymond J Butcher\",\"doi\":\"10.1107/S241431462500464X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The structure of the title compound, [CdCl<sub>2</sub>(C<sub>15</sub>H<sub>16</sub>N<sub>4</sub>S)], at 100 K has monoclinic (<i>P</i>2<sub>1</sub>/<i>c</i>) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(<i>E</i>)-[phen-yl(pyridine-2-yl)methyl-idene]amino]-thio-urea (<i>L</i>, Bp44mT), is of inter-est with respect to anti-cancer activity, anti-viral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no inter-molecular or intra-molecular hydrogen bonding with the supra-molecular features being driven by hydro-phobic, π-π and long-range dispersion forces.</p>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 Pt 5\",\"pages\":\"x250464\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-05-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142383/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S241431462500464X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/5/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S241431462500464X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/5/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

标题化合物[CdCl2(C15H16N4S)]在100 K时具有单斜(P21/c)对称性。该化合物具有层状结构,是有机配体与氯化镉的1:1配合物。配体3,3-二甲基-1-[(E)-[苯基(吡啶-2-基)甲基]氨基]硫代尿素(L, Bp44mT)具有抗癌活性、抗病毒特性和在血色素沉着症或镰状细胞病或地中海贫血等血液学疾病的多次输血中铁超载的潜在用途。本研究旨在揭示配体作为螯合剂的选择性基础,并对铅进行优化。我们还研究了该配体在治疗镉、砷、铅或汞等重金属中毒以及环境修复方面的潜在用途。晶体结构不存在分子间或分子内氢键,其超分子特征是由疏水、π-π和远程色散力驱动的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Di-chlorido-{(E)-N,N-dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbo-thio-amide}cadmium(II).

The structure of the title compound, [CdCl2(C15H16N4S)], at 100 K has monoclinic (P21/c) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(E)-[phen-yl(pyridine-2-yl)methyl-idene]amino]-thio-urea (L, Bp44mT), is of inter-est with respect to anti-cancer activity, anti-viral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no inter-molecular or intra-molecular hydrogen bonding with the supra-molecular features being driven by hydro-phobic, π-π and long-range dispersion forces.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
0.30
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信