当前位置：
X-MOL 学术
›
CrystEngComm
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of mebendazole
CrystEngComm ( IF 2.6 ) Pub Date : 2020-08-21 , DOI: 10.1039/d0ce00924e Eduardo L. Gutiérrez 1, 2, 3, 4, 5 , Agustín A. Godoy 5, 6, 7, 8, 9 , Griselda E. Narda 5, 6, 7, 8, 9 , Javier Ellena 10, 11, 12, 13
CrystEngComm ( IF 2.6 ) Pub Date : 2020-08-21 , DOI: 10.1039/d0ce00924e Eduardo L. Gutiérrez 1, 2, 3, 4, 5 , Agustín A. Godoy 5, 6, 7, 8, 9 , Griselda E. Narda 5, 6, 7, 8, 9 , Javier Ellena 10, 11, 12, 13
Affiliation
|
Two novel bicomponent solid forms of mebendazole (MBZ) were developed as a means to modulate its psychochemical and pharmaceutical properties. Supramolecular synthesis of MBZ A or C with perchloric or methyl sulfuric acids yields two salts of 1 : 1 stoichiometry, which were analyzed through single crystal X-ray diffraction. MBZ perchlorate crystallizes in the P21/n space group, while MBZ methyl sulfate crystallizes in the P![[1 with combining macron]](https://www.rsc.org/images/entities/char_0031_0304.gif)
space group. The API and its counterions are interconnected in both crystal packings by an R22(8) supramolecular motif. The 3-dimensional crystal structure is also stabilized by other strong intermolecular hydrogen bonds as well as non-classical interactions. FT-IR spectra are consistent with the inclusion of the anions in the crystal structure. MBZ perchlorate is stable up to 210 °C when it undergoes endothermic loss of the ester moiety. MBZ methyl sulfate is stable up to 160 °C when endothermic elimination of the methylcarbamate moiety occurs. The solubility behavior of MBZ perchlorate, studied by UV-visible spectroscopy, suggests an improvement by a factor of seven with respect to MBZ A, in the apparent solubility of MBZ in 0.1 mol L−1 HCl. Further experiments are required to evaluate both the stability of the solids and the maximum solubility of the API.
中文翻译：
甲苯咪唑的两种双组分固体形式的合理设计，超分子合成和固态表征
甲苯达唑（MBZ）的两种新型双组分固体形式被开发为调节其心理化学和药物特性的手段。用高氯酸或甲基硫酸超分子合成MBZ A或C产生两种化学计量比为1：1的盐，并通过单晶X射线衍射对其进行了分析。MBZ高氯酸盐在P 2 1 / n空间群中结晶，而MBZ硫酸甲酯在P空间群中结晶。API及其抗衡离子通过R 2 2在两个晶体填料中相互连接（8）超分子基序。3维晶体结构还通过其他强分子间氢键以及非经典相互作用而得以稳定。FT-IR光谱与晶体结构中阴离子的含量一致。MBZ高氯酸盐在高达210°C的温度下稳定吸收，酯部分发生吸热损失。当发生氨基甲酸甲酯部分的吸热消除时，MBZ硫酸甲酯在高达160°C的温度下稳定。通过紫外可见光谱法研究的MBZ高氯酸盐的溶解度行为表明，相对于MBZ A，MBZ在0.1 mol L -1 HCl中的表观溶解度提高了7倍。需要进一步的实验来评估固体的稳定性和API的最大溶解度。
更新日期：2020-10-12
space group. The API and its counterions are interconnected in both crystal packings by an R22(8) supramolecular motif. The 3-dimensional crystal structure is also stabilized by other strong intermolecular hydrogen bonds as well as non-classical interactions. FT-IR spectra are consistent with the inclusion of the anions in the crystal structure. MBZ perchlorate is stable up to 210 °C when it undergoes endothermic loss of the ester moiety. MBZ methyl sulfate is stable up to 160 °C when endothermic elimination of the methylcarbamate moiety occurs. The solubility behavior of MBZ perchlorate, studied by UV-visible spectroscopy, suggests an improvement by a factor of seven with respect to MBZ A, in the apparent solubility of MBZ in 0.1 mol L−1 HCl. Further experiments are required to evaluate both the stability of the solids and the maximum solubility of the API.
中文翻译：
甲苯咪唑的两种双组分固体形式的合理设计，超分子合成和固态表征
甲苯达唑（MBZ）的两种新型双组分固体形式被开发为调节其心理化学和药物特性的手段。用高氯酸或甲基硫酸超分子合成MBZ A或C产生两种化学计量比为1：1的盐，并通过单晶X射线衍射对其进行了分析。MBZ高氯酸盐在P 2 1 / n空间群中结晶，而MBZ硫酸甲酯在P
空间群中结晶。API及其抗衡离子通过R 2 2在两个晶体填料中相互连接（8）超分子基序。3维晶体结构还通过其他强分子间氢键以及非经典相互作用而得以稳定。FT-IR光谱与晶体结构中阴离子的含量一致。MBZ高氯酸盐在高达210°C的温度下稳定吸收，酯部分发生吸热损失。当发生氨基甲酸甲酯部分的吸热消除时，MBZ硫酸甲酯在高达160°C的温度下稳定。通过紫外可见光谱法研究的MBZ高氯酸盐的溶解度行为表明，相对于MBZ A，MBZ在0.1 mol L -1 HCl中的表观溶解度提高了7倍。需要进一步的实验来评估固体的稳定性和API的最大溶解度。
京公网安备 11010802027423号