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A HTS campaign identified compound 1, an excellent hit-like molecule to initiate medicinal chemistry efforts to optimize a dual ROCK1 and ROCK2 inhibitor. Substitution (2-Cl, 2-NH2, 2-F, 3-F) of the pyridine hinge binding motif or replacement with pyrimidine afforded compounds with a clean CYP inhibition profile. Cocrystal structures of an early lead compound were obtained in PKA, ROCK1, and ROCK2. This provided critical structural information for medicinal chemistry to drive compound design. The structural data indicated the preferred configuration at the central benzylic carbon would be (R), and application of this information to compound design resulted in compound 16. This compound was shown to be a potent and selective dual ROCK inhibitor in both enzyme and cell assays and efficacious in the retinal nerve fiber layer model after oral dosing. This tool compound has been made available through the AbbVie Compound Toolbox. Finally, the cocrystal structures also identified that aspartic acid residues 176 and 218 in ROCK2, which are glutamic acids in PKA, could be targeted as residues to drive both potency and kinome selectivity. Introduction of a piperidin-3-ylmethanamine group to the compound series resulted in compound 58, a potent and selective dual ROCK inhibitor with excellent predicted drug-like properties.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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In the continuing study directed toward the development of peroxisome proliferator-activated receptor gamma (hPPARgamma) agonist, we attempted to improve the water solubility of our previously developed hPPARgamma-selective agonist 3, which is insufficiently soluble for practical use, by employing two strategies: introducing substituents to reduce its molecular planarity and decreasing its hydrophobicity via replacement of the adamantyl group with a heteroaromatic ring. The first approach proved ineffective, but the second was productive. Here, we report the design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type hPPARgamma partial agonists with improved aqueous solubility. Among them, we selected (R)-7j, which activates hPPARgamma to the extent of about 65% of the maximum observed with a full agonist, for further evaluation. The ligand-binding mode and the reason for the partial-agonistic activity are discussed based on X-ray-determined structure of the complex of hPPARgamma ligand-binding domain (LBD) and (R)-7j with previously reported ligand-LDB structures. Preliminal apoptotic effect of (R)-7j against human scirrhous gastric cancer cell line OCUM-2MD3 is also described.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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The invention relates to a process for preparing 4-(4?-carboxyphenyl)pyridine, which comprises oxidizing a 4-phenyl-N-acyldihydropyridine of the formula (II) 1where R1 is a bulky alkyl, alkylaryl, arylalkyl or alkoxy group and R2 is a straight-chain or branched, substituted or unsubstituted alkyl radical having from 1 to 8 carbon atoms, by means of an oxidizing agent selected from the group consisting of permanganates, nitric acid, Cr(VI) compounds, oxygen and air to give the compound of the formula (I) 2where M is a cation.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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Starting point of the present paper was the result of a virtual screening using the open conformation of the large extracellular loop (LEL) of the CD81-receptor (crystal structure: PDB-ID: 1G8Q). After benzyl salicylate had been experimentally validated to be a moderate inhibitor of the CD81-LEL-HCV-E2 interaction, further optimization was performed and heterocyclic-substituted benzyl salicylate derivatives were synthesized. The compounds were tested for their ability to inhibit the interaction of a fluorescence-labeled antibody to CD81-LEL using HUH7.5 cells. No compound showed an increase concerning the inhibition of the protein-protein interaction compared to benzyl salicylate.

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New Advances in Chemical Research, May 2021.Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. SDS of cas: 57196-62-0, At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 57196-62-0, name is 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride. In an article,Which mentioned a new discovery about 57196-62-0

Formerly unknown 4-(4-pyridyl)benzoic acid was synthesized and some of its esters were prepared, their mesomorphic properties were examined. Alkyl-esters of the said acid are nonmesomorphic, while three-ring aryl esters form monotropic smectic A state. Esters aren’t stable, they hydrolize easily.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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A series of highly connected metal?organic frameworks (MOFs), [Co8(O)(OH)4(H2O)4(ina)8](NO3)2?2 C2H5OH?4 H2O (1), [Co8(O)(OH)4(H2O)4(pba)8](NO3)2?8 C2H5OH?28 H2O (2), and [Co8(O)(OH)4(H2O)4(pbba)8](NO3)2?guest (3), in which ina=isonicotinate, pba=4-pyridylbenzoate, and pbba=4-(pyridine-4-yl)phenylbenzoate, is reported. These MOFs contain a new secondary building unit (SBU), with a square Co4(mu4-O) central unit having the rare mu4-O2?motif, which is decorated by the other four peripheral cobalt atoms through mu3-OH in a windmill-like shape. This SBU holds 16 divergent connecting organic ligands, pyridyl-carboxylates, to form three different frameworks. The high porosity of desolvated 2 is shown by the efficient gas absorption of N2, CO2, CH4, and H2. In addition, 1 and 2 exhibit unusual canted antiferromagnetic behavior with spin-glass-like relaxation, with blocking temperatures that are fairly high, 20 K (1) and 10 K (2), for cobalt materials. The relationship between the metal clusters and linkers has been studied, in which the size and rotational degrees of freedom of the ligands are found to control the topology, gas sorption, and magnetic properties.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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The present invention provides benzodiazepine derivatives of the following formula, analogs thereof and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of inhibiting activated blood-coagulation factor X. These compounds are usable as agents for treating various diseases concerned with the activated blood-coagulation factor X. 1

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Tetrahydroisoquinoline – Wikipedia,
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The invention relates to compounds which are substituted chiral or achiral derivatives of 3- or 4- aminopiperidine of the general formula (I). The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more compounds of general formula I and especially their use as inhibitors of beta-secretases.

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A new pillared-layer coordination polymer, [Co3(pybz) 2(pico)2]n (1; pybz = 4-(pyridin -4-yl) benzoate, pico = 3-hydroxypicolinate), contains rare 2D [Co3(pico) 2]n2n+ layers formed by linear cobalt(II) trimers through the unusual mu4-kN, O:kO?-mu2 : kO?- mu2 bridging mode of pico ligands, which are further cross-pillared by exotridentate bridging pybz ligands to form a three-dimensional structure with an unusual uninodal 8-connected body-centered-cubic topology. The bulk magnetic behavior of 1 exhibits ferrimagnetic long-range ordering below 2.6 K, which mainly arises from the cooperative magnetic effect of the intra- and intertrimer arrangements in the 2D magnetic system based on the nature of the exchange modes of mu2-hydroxyl, mu2-carboxylate oxygen, and 1, 1, 3-mu3-carboxylate bridges.

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Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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A cobalt metal-organic framework constructed by 4-(4-pyridyl)-benzoic acid was used as the precursor to afford a series of Co nanoparticles embedded and N/O-doped porous carbon materials CoNOC-Tc-t (where Tc represents the carbonization temperature and t represents the carbonization time), which possess high surface area, hierarchically micro-, meso- and macropores, and high graphitization as well as the uniformly enchased N?Co?O catalytic active sites derived from pyridine nitrogen atom and chelating carboxylate coordinated octahedral cobalt (II) center. These CoNOC-Tc-t porous carbon nanostructures have demonstrated prominent catalytic activities toward oxygen reduction reaction (ORR) in alkaline medium. Compared with commercial Pt/C catalyst, the CoNOC-800-1 (annealed at 800 C for 1 h) exhibits excellent selectivity via an efficient four-electron-dominant ORR process, as well as the superior durability and methanol tolerance, making it a cost-effective Pt-free ORR electrocatalyst. More importantly, the novelly designed N?Co?O catalytic active sites are proposed and well demonstrated by experiments, which provides a promising approach to develop heteroatom-doped carbon-based electrocatalytic materials.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem