Category: 94084-75-0

Fichert, Thomas published the artcileA structure-Permeability study of small drug-like molecules, Application In Synthesis of 94084-75-0, the main research area is tetrazole permeability MSPR.

A systematic structure-permeability relationship study on a set of small drug-like mols. with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D>0 and <3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s). Bioorganic & Medicinal Chemistry Letters published new progress about Diffusion. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Application In Synthesis of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ogiso, Taro published the artcilePharmacokinetics of ozagrel and its metabolites after intravenous and oral administrations, Application In Synthesis of 94084-75-0, the main research area is ozagrel metabolism pharmacokinetics liver intestine.

The pharmacokinetics of ozagrel, a selective thromboxane A2 synthetase inhibitor, and its metabolites M1 [p-(1H-imidazol-1-ylmethyl)benzoic acid] and M2 [3-[p-(1H-imidazol-1-ylmethyl)phenyl]-2-propionic acid] were investigated in rats. The plasma concentration-time profile of ozagrel was biexponential, with a rapid terminal decay (t1/2b = 0.173 and 0.160 h after doses of 15 and 45 mg/kg, resp.). Metabolites M1 and M2 appeared in plasma immediately after i.v. administration of the parent drug. Similar patterns of metabolites were observed in plasma after oral administration, although concentrations of M2 were higher than those of M1, indicating the metabolic conversion of ozagrel to M2 and M1. However, a saturable 1st-pass clearance was seen after a high oral dose (60 mg/kg) of ozagrel. When M2 was administered i.v., M1 appeared in the circulation at appreciable levels, providing evidence of metabolic conversion of M2 to M1 in the systemic circulation. Ozagrel was partly metabolized to M2 and M1 in rat intestinal mucosa, although the main metabolic site might be in the liver. The results indicate that the metabolic pathway of ozagrel in rats is the conversion of the parent drug to M2 and M1 and the conversion of M2 to M1.

Journal of Pharmaceutical Sciences published new progress about Intestine. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Application In Synthesis of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Morita, Kunihiko published the artcileInhibition of testosterone biosynthesis in testicular microsomes by various imidazole drugs. Comparative study with ketoconazole, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid, the main research area is testosterone formation testis microsome imidazole.

Ketoconazole (KCZ), an imidazole-containing antimycotic, has been demonstrated to inhibit testosterone biosynthesis in man. In this study, the inhibitory activities of various imidazole drugs such as miconazole (MCZ), cimetidine (CIM), ozagrel (OZA) and its metabolites (M-1 and M-2) on the pathway of testosterone biosynthesis in testicular microsomes were compared with that of KCZ in vitro. Addnl., the changes in serum testosterone level in the patients by the treatments with MCZ were followed. KCZ inhibited 17α-hydroxylase and C17,20-lyase activities in a dose-dependent manner, while it did not affect 17β-hydroxysteroid dehydrogenase activity. Although the patterns of the inhibitory actions and the interaction of either imidazole drugs with cyclochrome P 450 as 17α-hydroxylase and C17,20-lyase were similar to those of KCZ, the inhibitory potencies and affinities for the cytochrome P 450 system decreased in the order of KCZ > MCZ > OZA > M-2 > M-1 > CIM. At the end of the i.v. injection of 200 mg MCZ to the patients, the serum testosterone levels decreased by about 16% of the original level and then returned to the original level 5 h after the end of injection. These results indicate that either imidazole drugs tested could inhibit a cytochrome P 450 enzyme C17,20-lyase mainly in testicular microsomes, and suggest that MCZ, a potent inhibitor subsequent to KCZ, induces a slight alteration in the testosterone biosynthesis in its clin. use.

Journal of Pharmacobio-Dynamics published new progress about Microsome. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Hagedorn, Alfred A. III published the artcileCardiotonic agents. 2. (Imidazolyl)aroylimidazolones, highly potent and selective positive inotropic agents, Application of 4-((1H-Imidazol-1-yl)methyl)benzoic acid, the main research area is imidazolylaroylimidazolone preparation inotropic activity; cardiac phosphodiesterase inhibition imidazolylbenzoylimidazolone; mol structure inotropic activity.

Twenty-two alkyldihydro[(imidazolyl)benzoyl]imidazolones (e.g., I; R = Me, R1 = H) was synthesized and evaluated in vitro for pos. inotropic and cAMP phosphodiesterase inhibitory activity. Thus, the imidazolone II was heated at 140° in molten imidazole to give 61% I (R = Me, R1 = H). A wide range of inotropic and enzyme-inhibitory potencies was observed, substitution on the imidazolyl moiety being the major determinant of activity. I (R = Et, R1 = H) exhibited the highest potency in vitro. Incorporation of a Me group at the imidazolyl 2-position gave I (R = Et, R1 = Me), which was less potent but remarkably selective in vivo for pos. inotropic effects over heart rate and hypotensive effects.

Journal of Medicinal Chemistry published new progress about Heart. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Application of 4-((1H-Imidazol-1-yl)methyl)benzoic acid.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yamada, Junji published the artcileParticipation of peroxisomal β-oxidation system in the chain-shortening of a xenobiotic acyl compound, SDS of cas: 94084-75-0, the main research area is drug metabolism liver beta oxidation; peroxisome function drug metabolism.

A model drug, (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid  [82571-53-7], was metabolized to 4-(1-imidazolylmethyl)benzoic acid  [94084-75-0] by isolated hepatocytes of rats and this metabolism was enhanced by pretreatment of rats with clofibrate. With liver homogenates, the formation of the CoA-ester [94666-06-5] of this drug and its subsequent chain-shortening were demonstrated. Acyl-CoA synthetase  [9013-18-7], CoA  [85-61-0], ATP  [56-65-5], and NAD  [53-84-9] were required for this metabolic sequence; CN- did not inhibit the reaction. These results indicate that peroxisomes are capable of shortening the acyl side-chains of drugs by the β-oxidation, giving an addnl. suggestion on the functions of peroxisomes.

Biochemical and Biophysical Research Communications published new progress about Alkyl groups. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, SDS of cas: 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Alverez, Celeste N. published the artcileIdentification of a New Heterocyclic Scaffold for Inhibitors of the Polo-Box Domain of Polo-like Kinase 1, Product Details of C11H10N2O2, the main research area is triazolo quinazolinone preparation anticancer drug discovery pharmacokinetic SAR.

As a mitotic-specific target widely deregulated in various human cancers, polo-like kinase 1 (Plk1) has been extensively explored for anticancer activity and drug discovery. Although multiple catalytic domain inhibitors were tested in preclin. and clin. studies, their efficacies are limited by dose-limiting cytotoxicity, mainly from off-target cross reactivity. The C-terminal noncatalytic polo-box domain (PBD) of Plk1 has emerged as an attractive target for generating new protein-protein interaction inhibitors. Here, we identified a 1-thioxo-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one scaffold that efficiently inhibits Plk1 PBD but not its related Plk2 and Plk3 PBDs. Structure-activity relationship studies led to multiple inhibitors having ≥10-fold higher inhibitory activity than the previously characterized Plk1 PBD-specific phosphopeptide, PLHSpT (Kd ~450 nM). In addition, S-Me prodrugs effectively inhibited mitotic progression and cell proliferation and their metabolic stability was determined These data describe a novel class of small-mol. inhibitors that offer a promising avenue for future drug discovery against Plk1-addicted cancers.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Product Details of C11H10N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Moustakim, Moses published the artcileDiscovery of an MLLT1/3 YEATS Domain Chemical Probe, SDS of cas: 94084-75-0, the main research area is MLLT1 YEATS domain chem probe; MLLT1; MLLT3; YEATS; chemical probes; epigenetics.

YEATS domain (YD) containing proteins are an emerging class of epigenetic targets in drug discovery. Dysregulation of these modified lysine-binding proteins has been linked to the onset and progression of cancers. We herein report the discovery and characterization of the first small-mol. chem. probe, SGC-iMLLT, for the YD of MLLT1 (ENL/YEATS1) and MLLT3 (AF9/YEATS3). SGC-iMLLT is a potent and selective inhibitor of MLLT1/3-histone interactions. Excellent selectivity over other human YD proteins (YEATS2/4) and bromodomains was observed Furthermore, our probe displays cellular target engagement of MLLT1 and MLLT3. The first small-mol. X-ray co-crystal structures with the MLLT1 YD are also reported. This first-in-class probe mol. can be used to understand MLLT1/3-associated biol. and the therapeutic potential of small-mol. YD inhibitors.

Angewandte Chemie, International Edition published new progress about Antitumor agents. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, SDS of cas: 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Song, Yang published the artcileEffect of solvent and temperature on the photoluminescent properties of Ag(I) complexes base on two different flexibility imidazole functionalized benzoic acid linkers, HPLC of Formula: 94084-75-0, the main research area is preparation silver imidazolebenzoate complex; crystal structure silver imidazolebenzoate complex; photoluminescence silver imidazolebenzoate complex.

Two novel Ag(I) complexes zero-dimensional (0D) [Ag(ibz)(Hibz)]2 (Ag1) (Hibz = 4-(1H-imidazolyl)benzoic acid) and two-dimensional (2D) [Ag(imbz)(Himbz)]n (Ag2) (Himbz = 4-(1H-imidazolyl-1-methyl)benzoic acid) were synthesized through the hydrothermal method. By changing the ligands from rigid Hibz to flexible Himbz, the distance between two aromatic rings in the ligand is controlled to get different dimensional complexes. Both complexes were characterized by single-crystal x-ray diffraction, IR, elemental anal. and thermal gravimetric analyses (TGA). Ag1 is coordinated with two N atoms, forming a two-coordination linear configuration. While Ag2 possesses interesting 2-dimensional frameworks, exhibiting 2-fold interpenetrating sql topol. structure. The luminescent properties of Ag1 and Ag2 were studied both in the solid state and in different solvents (DMSO, MeCN and MeOH) at 298 K and 77 K. Ag1 displays stable blue luminescent in the solid state and in solvents at 298 K and 77 K. Whereas, Ag2 shows tunable luminescence by changing the temperature from 298 K to 77 K, indicating thermochromic luminescence for Ag2. The emission efficiency of Ag1 and Ag2 is found with quantum yields ranging from 0.073 to 0.208, which is much higher than that of free ligand.

Inorganic Chemistry Communications published new progress about Crystal structure. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, HPLC of Formula: 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Fan, J. published the artcileSynthesis and crystal structure of a one-dimensional coordination polymer of nickel(II) with 4′-(imidazol-1-ylmethyl)benzoate anion, Application In Synthesis of 94084-75-0, the main research area is crystal structure nickel imidazolylmethylbenzoate aqua polymer; nickel imidazolylmethylbenzoate aqua polymer preparation structure.

A 1-dimensional (1D) coordination polymer, [NiII(imbz)2(H2O)2]n (1; imbz-= 4′-(imidazol-1-ylmethyl)benzoate) was synthesized by treatment of Ni(CH3COO)2·4H2O with a piperidinium salt of 4′-(imidazol-1-ylmethyl)benzoic acid and. 1 Was characterized by x-ray crystallog. The TGA and magnetic property of the 1 are also reported.

Inorganic Chemistry Communications published new progress about Crystal structure. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Application In Synthesis of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Tetko, Igor V. published the artcileApplication of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid, the main research area is partition ALOGPS QSAR.

The ALOGPS 2.1 was developed to predict 1-octanol/water partition coefficients, logP, and aqueous solubility of neutral compounds An exclusive feature of this program is its ability to incorporate new user-provided data by means of self-learning properties of Associative Neural Networks. Using this feature, it calculated a similar performance, RMSE = 0.7 and mean average error 0.5, for 2569 neutral logP, and 8122 pH-dependent logD7.4, distribution coefficients from the AstraZeneca “”inhouse”” database. The high performance of the program for the logD7.4 prediction looks surprising, because this property also depends on ionization constants pKa. Therefore, logD7.4 is considered to be more difficult to predict than its neutral analog. We explain and illustrate this result and, moreover, discuss a possible application of the approach to calculate other pharmacokinetic and biol. activities of chems. important for drug development.

Journal of Pharmaceutical Sciences published new progress about Neural network modeling. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem