61660-77-3Relevant academic research and scientific papers
Introducing a Cantellation Strategy for the Design of Mesoporous Zeolite-like Metal-Organic Frameworks: Zr-sod-ZMOFs as a Case Study
Alsadun, Norah,Mouchaham, Georges,Guillerm, Vincent,Czaban-Jó?wiak, Justyna,Shkurenko, Aleksander,Jiang, Hao,Bhatt, Prashant M.,Parvatkar, Prakash,Eddaoudi, Mohamed
supporting information, p. 20547 - 20553 (2020/12/23)
Herein we report novel mesoporous zirconium-based metal-organic frameworks (MOFs) with zeolitic sodalite (sod) topology. Zr-sod-ZMOF-1 and -2 are constructed based on a novel cantellation design strategy. Distinctly, organic linkers are judiciously designed in order to promote the deployment of the 12-coordinated Zr hexanuclear molecular building block (MBB) as a tetrahedral secondary building unit, a prerequisite for zeolite-like nets. The resultant Zr-sod-ZMOFs exhibit mesopores with a diameter up to ≈43 ?, while the pore volume of 1.98 cm3·g-1 measured for Zr-sod-ZMOF-1 is the highest reported experimental value for zeolite-like MOFs based on MBBs as tetrahedral nodes.
SYNTHESIS OF ACRIDINIUM COMPOUNDS BY N-ALKYLATION OF ACRIDANS
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Paragraph 0107; 0108; 0109, (2014/02/15)
A method is provided for N-alkylation of acridine compounds by reduction of acridines to corresponding acridans to improve the reactivity of the acridine nitrogen, and subsequent N-alkylation of the acridans in ionic liquid solvents to provide the corresp
Discovery of novel small molecule inhibitors of dengue viral NS2B-NS3 protease using virtual screening and scaffold hopping
Deng, Jing,Li, Ning,Liu, Hongchuan,Zuo, Zhili,Liew, Oi Wah,Xu, Weijun,Chen, Gang,Tong, Xiankun,Tang, Wei,Zhu, Jin,Zuo, Jianping,Jiang, Hualiang,Yang, Cai-Guang,Li, Jian,Zhu, Weiliang
experimental part, p. 6278 - 6293 (2012/09/07)
By virtual screening, compound 1 was found to be active against NS2B-NS3 protease (IC50 = 13.12 ± 1.03 μM). Fourteen derivatives (22) of compound 1 were synthesized, leading to the discovery of four new inhibitors with biological activity. In order to expand the chemical diversity of the inhibitors, small-molecule-based scaffold hopping was performed on the basis of the common scaffold of compounds 1 and 22. Twenty-one new compounds (23, 24) containing quinoline (new scaffold) were designed and synthesized. Protease inhibition assays revealed that 12 compounds with the new scaffold are inhibitors of NS2B-NS3 protease. Taken together, 17 new compounds were discovered as NS2B-NS3 protease inhibitors with IC50 values of 7.46 ± 1.15 to 48.59 ± 3.46 μM, and 8 compounds belonging to two different scaffolds are active to some extent against DENV based on luciferase reporter replicon-based assays. These novel chemical entities could serve as lead structures for discovering therapies against DENV.
Isomorphous crystals by chloro-methyl exchange in polymorphic fuchsones
Nath, Naba K.,Nangia, Ashwini
, p. 5411 - 5425 (2013/01/15)
The X-ray crystal structures of four fuchsone derivatives in which a chloro group is replaced by methyl were analyzed to understand isostructurality upon Cl-Me exchange in a polymorphic family of molecules. The four methyl groups in tetramethyl fuchsone (TMF, 2,6-dimethyl and α,α-di-p-tolyl) were substituted with chlorine pairwise to give dichloro dimethyl (CMF, 2,6-dichloro and α,α-di-p-tolyl), dimethyl dichloro (MCF, 2,6-dimethyl and α,α-di-p-chlorophenyl), and tetrachloro derivatives (TCF, 2,6-dichloro and α,α-di-p-chlorophenyl). The first three compounds are polymorphic, whereas TCF afforded one crystal modification only. TMF, CMF, and MCF are isostructural and isomorphous crystals in the category of polymorphs, solid solutions, and solvates. The first case of color polymorphism in fuchsone dyes is reported for CMF dimorphs. The formation of solid solution is one of the most stringent tests of isostructutality, which was observed for TMF, CMF, and MCF but not for TCF. Crystal packing in TCF is dominated by short Cl·Cl interactions, and consequently this crystal structure is different from the first three members which are largely a result of space filling. Crystal structures were analyzed using the XPac program to calculate the dissimilarity index of supramolecular constructs and Hirshfeld fingerprint plots to quantify the contribution of Cl·Cl interactions. Isostructurality was observed up to 50% exchange of Cl with Me, but after that point the structure deviates to another packing motif.
Tetralin esters of phenols or benzoic acids having retinoid like activity
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, (2008/06/13)
Retinoid-like activity is exhibited by compounds of the formula STR1 where the R groups are independently hydrogen, or lower alkyl; A is --C(O)O--, --OC(O)--, --C(O)S--, or --SC(O)--; n is 0-5; and Z is H, --COB where B is --OH or a pharmaceutically acceptable salt, or B is --OR 1 where R 1 is an ester-forming group, or B is --N(R) 2 where R is hydrogen or lower alkyl, or Z is --OE where E is hydrogen or an ether-forming group or --COR 2 where R 2 is hydrogen, lower alkyl, phenyl or lower alkyl phenyl, or Z is --CHO or an acetal derivative thereof, or Z is --COR 3 where R 3 is --(CH 2) m CH 3 where m is 0-4 and the sum of n and m does not exceed 4.
