Dubovoy Viktor, Desai Primit, Hao Zhigang, Cheng Chi-Yuan, Verma Gaurav, Wojtas Lukasz, Brinzari Tatiana V, Boyd Jeffrey M, Ma Shengqian, Asefa Tewodros, Pan Long
Colgate-Palmolive Company, 909 River Road, Piscataway, New Jersey 08854, United States.
Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, New Jersey 08854, United States.
Cryst Growth Des. 2020 Aug 5;20(8):4991-4999. doi: 10.1021/acs.cgd.0c00107. Epub 2020 May 4.
The synthesis, crystal structure, and antimicrobial efficacy are reported for a novel material comprising a 1:2 ratio of chlorhexidine (CHX) to N-cyclohexylsulfamate (, artificial sweetener known as cyclamate). The chemical structure is unambiguously identified by incorporating a combination of single-crystal X-ray diffraction (SC-XRD), electrospray ionization mass spectrometry (ESI-MS), H nuclear magnetic resonance (NMR) spectroscopy, correlation spectroscopy (COSY), and attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR). The new material: 1) is amongst only several reported structures identified to date incorporating the vital chlorhexidine antimicrobial drug; 2) exhibits broad spectrum antimicrobial activity at concentrations less than 15 μg/mL; and 3) provides a unique delivery method for the essential active pharmaceutical ingredient (API). Furthermore, substitution of inactive gluconate with bioactive cyclamate counterion potentially provides the additional benefit of improving the taste profile of chlorhexidine.
报道了一种新型材料的合成、晶体结构和抗菌功效，该材料由氯己定（CHX）与N - 环己基氨基磺酸盐（一种名为甜蜜素的人工甜味剂）按1:2比例组成。通过结合单晶X射线衍射（SC-XRD）、电喷雾电离质谱（ESI-MS）、氢核磁共振（NMR）光谱、相关光谱（COSY）和衰减全反射傅里叶变换红外光谱（ATR-FTIR）明确鉴定了其化学结构。这种新材料：1）是迄今为止报道的仅有的几种包含重要氯己定抗菌药物的结构之一；2）在浓度低于15μg/mL时表现出广谱抗菌活性；3）为关键活性药物成分（API）提供了独特的递送方法。此外，用生物活性的甜蜜素抗衡离子替代无活性的葡萄糖酸盐可能会带来改善氯己定口感的额外益处。
