Tag: M.W=200-250

Shevchenko, V. P. published the artcileEfficiency of the isotope exchange between sodium 4-phenylbenzoate and tritium under different activation conditions, Application of 4-Cyclohexylbenzoic acid, the publication is Doklady Physical Chemistry (2015), 463(2), 182-187, database is CAplus.

It has been shown that when a mixture of sodium 4-phenylbenzoate and 5% Pd/C preliminarily exposed to a mol. tritium atm. at 333 K for 25 min is treated with at. protium, tritium is incorporated into sodium 4-phenylbenzoate mols. The resulting molar radioactivity of this compound is as high as 0.8 ± 0.2 Ci/mmol, and the molar radioactivity of 4-cyclohexylbenzoic acid turns out to be fourto-five times higher than that of labeled sodium 4-phenylbenzoate. It has been suggested that the interaction of protium atoms with (³H+)(e̅) clusters formed on the support surface upon tritium spillover can initiate isotope exchange and hydrogenation reactions.

Doklady Physical Chemistry published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C12H20O6, Application of 4-Cyclohexylbenzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Gholivand, Khodayar published the artcileSynthesis, characterized, QSAR studies and molecular docking of some phosphonates as COVID-19 inhibitors, Name: 4,4-Diaminodicyclohexyl methane, the publication is Polyhedron (2022), 115824, database is CAplus and MEDLINE.

The global coronavirus (COVID-19) outbreak has prompted scientists to discover a cure for the disease. So far, phosphorus-based drugs have been proposed. These drugs have good inhibitory activity against the main protease (Mpro). Hence, in order to introduce a group of inhibitors the coronavirus, 51 compounds containing different mono, bis, and tetra phosphonates as Remdesivir derivatives, 32 of which are new, were synthesized and characterized by ³¹P, ¹³C, and ¹H NMR and IR spectroscopy. Their biol. activities were also investigated by Mol. Docking, QSAR, and Pharmacophore. Van der Waals, hydrogen bonding, and hydrophobic interactions were studied for all compounds as well as binding energy (ΔG, Kcal/mol) and the inhibitory constant Ki (μM) obtained by Mol. Docking. The results showed that the topol. of the ligands and the change of the different groups attached to them can be effective in the placement position in the active site of the enzyme (Glu 166 and Gln 189). And bisphosphonates have a high interaction tendency with Mpro COVID-19. Compound L24 was identified as the best inhibitor with the -6.38 kcal/mol binding energy. The quant. structure-activity relationship (QSAR) findings demonstrated that the polarity and topol. of mols. in all phosphonate derivatives were important parameters affecting the effecting on the binding energy and inhibitory ability of compounds The DFT and pharmacophore results are in good accordance with those of QSAR and mol. docking. This study can be helpful to gain a better understanding of the interactions between the Mpro of virus and its inhibitors in order to attain drugs with more effect on coronavirus (COVID-19).

Polyhedron published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Name: 4,4-Diaminodicyclohexyl methane.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Ponzano, Stefano published the artcileSynthesis, Biological Evaluation, and 3D QSAR Study of 2-Methyl-4-oxo-3-oxetanylcarbamic Acid Esters as N-Acylethanolamine Acid Amidase (NAAA) Inhibitors, Application of 4-Cyclohexylbenzoic acid, the publication is Journal of Medicinal Chemistry (2014), 57(23), 10101-10111, database is CAplus and MEDLINE.

N-(2-Oxo-3-oxetanyl)carbamic acid esters e. g., I, have recently been reported to be noncompetitive inhibitors of the N-acylethanolamine acid amidase (NAAA) potentially useful for the treatment of pain and inflammation. In the present study, we further explored the structure-activity relationships of the carbamic acid ester side chain of 2-methyl-4-oxo-3-oxetanylcarbamic acid ester derivatives Addnl. favorable features in the design of potent NAAA inhibitors have been found together with the identification of a single digit nanomolar inhibitor. In addition, we devised a 3D QSAR using the at. property field method. The model turned out to be able to account for the structural variability and was prospectively validated by designing, synthesizing, and testing novel inhibitors. The fairly good agreement between predictions and exptl. potency values points to this 3D QSAR model as the first example of quant. structure-activity relationships in the field of NAAA inhibitors .

Journal of Medicinal Chemistry published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Application of 4-Cyclohexylbenzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Sutton, James C. published the artcileSolid-phase synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors, Application of 4-Cyclohexylbenzoic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2004), 14(9), 2233-2239, database is CAplus and MEDLINE.

A series of non-guanidine N1-activated C4-carboxy azetidinone tryptase inhibitors, e.g. I, was prepared by solid-phase methodol. to quickly assess the SAR associated with distal functionality on the N1-activating group. From these studies, potent inhibitors with improved specificity were discovered.

Bioorganic & Medicinal Chemistry Letters published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C5H9IO2, Application of 4-Cyclohexylbenzoic acid.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider