Tag: M.W=200-250

Feng, Song published the artcileDiscovery of Imidazopyridine Derivatives as Highly Potent Respiratory Syncytial Virus Fusion Inhibitors, Synthetic Route of 67625-38-1, the main research area is imidazopyridine preparation antiviral respiratory syncytial virus fusion inhibitory activity; Respiratory syncytial virus (RSV); antiviral; fusion inhibitors; heterocycle; imidazopyridine; virus.

A series of imidazolepyridine derivatives were designed and synthesized according to the established docking studies. The imidazopyridine derivatives were found to have good potency and phys.-chem. properties. Several highly potent compounds such as I (R = CONH2, SO2Me, SO2Et) were identified with single nanomolar activities. The most potent compound I (R = SO2Et) showed an IC50 of 3 nM, lower microsome clearance and no CYP inhibition. The profile of I (R = SO2Et) appeared to be superior to BMS433771, and supported further optimization.

ACS Medicinal Chemistry Letters published new progress about Antiviral agents. 67625-38-1 belongs to class imidazoles-derivatives, name is Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, and the molecular formula is C10H9ClN2O2, Synthetic Route of 67625-38-1.

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

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

Guo, Jing published the artcileDesign, synthesis, structure-activity relationships study and X-ray crystallography of 3-substituted-indolin-2-one-5-carboxamide derivatives as PAK4 inhibitors, Product Details of C10H7ClN2O, the main research area is indolinone preparation SAR docking PAK4 inhibitor crystal mol structure; Indolin-2-one; X-ray crystallography; p21-activated kinase 4.

We have previously described the identification of indolin-2-one-5-carboxamides as potent PAK4 inhibitors. This study expands the structure-activity relationships on our original series by presenting several modifications in the lead compounds, I and II. A series of novel derivatives was designed, synthesized, and evaluated in biochem. and cellular assay. Most of this series displayed nanomolar biochem. activity and potent antiproliferative activity against A549 and HCT116 cells. The representative compound III exhibited excellent enzyme inhibition (PAK4 IC50 = 25 nM) and cellular potency (A549 IC50 = 0.58 μM, HCT116 IC50 = 0.095 μM). An X-ray structure of compound III bound to PAK4 was obtained. Crystallog. anal. confirmed predictions from mol. modeling and helped refine SAR results. In addition, Compound III displayed focused multi-targeted kinase inhibition, good calculated drug-likeness properties. Further profiling of compound III revealed it showed weak inhibitory activity against various isoforms of human cytochrome P 450.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 62457-94-7 belongs to class imidazoles-derivatives, name is (4-Chlorophenyl)(1H-imidazol-2-yl)methanone, and the molecular formula is C10H7ClN2O, Product Details of C10H7ClN2O.

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

Hand, E. Smakula published the artcileReaction of 3-substituted imidazo[1,2-a]pyridines with bromine(1+) and the alleged 5-bromo-substituted product, Synthetic Route of 5857-47-6, the main research area is bromosuccinimide reaction imidazopyridine.

The reaction of 3-methylimidazo[1,2-a]pyridine with N-bromosuccinimide (I) gave products formed by apparent nucleophilic substitution at the 2-position. I in CHCl3 gave II and III, while I in CCl4 or Br2 in CHCl3 gave II exclusively. Mechanisms and differences in product formation are discussed; evidence is presented that the previously reported I product was in fact 3-bromo-5-methylimidazo[1,2-a]pyridine, rather than the alleged 5-bromo-3-Me derivative IV. IV was prepared by diazotization of 5-amino-3-methylimidazo[1,2-a]pyridine in the presence of HBr and by condensation of MeCHBrCHO (or its acetal) with 2-amino-6-bromopyridine.

Journal of Organic Chemistry published new progress about Reaction mechanism. 5857-47-6 belongs to class imidazoles-derivatives, name is 3-Bromo-5-methylimidazo[1,2-a]pyridine, and the molecular formula is C8H7BrN2, Synthetic Route of 5857-47-6.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Salgado-Zamora, Hector published the artcileA convenient approach to the synthesis of the imidazo[5,1-b]oxazole ring system, Product Details of C4H4BrN3O2, the main research area is imidazole bromomethylnitrophenacyl intramol cyclization potassium butoxide; imidazooxazole preparation; oxazole imidazo preparation.

Reaction of 4(5)-bromo-2-methyl-5(4)-nitroimidazole with phenacyl bromide derivatives ArCOCH2Br (Ar = Ph, 4-ClC6H4, 3-F3CC6H4, etc.) led to 4-bromo-2-methyl-1-phenacyl-5-nitro- and 5-bromo-2-methyl-1-phenacyl-4-nitroimidazoles I (X1 = NO2, X2 = Br; X1 = Br, X2 = NO2). Treatment of the latter isomers with potassium tert-butoxide in dry THF yielded imidazo[5,1-b]oxazoles II.

Heterocycles published new progress about Crystal structure. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Product Details of C4H4BrN3O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wagner, Pawel published the artcileCrystal packing of two 5-substituted 2-methyl-4-nitro-1H-imidazoles, Safety of 5-Bromo-2-methyl-4-nitroimidazole, the main research area is crystal packing methyl nitro imidazole derivative; mol structure bromomethylnitroimidazole methylnitroimidazolecarbonitrile; structure crystal bromomethylnitroimidazole methylnitroimidazolecarbonitrile; hydrogen bond bromomethylnitroimidazole methylnitroimidazolecarbonitrile.

Infinite chains connected by N-H···N H bonding form the primary packing motif in two closely related 4-nitroimidazole derivatives, viz. 5-bromo-2-methyl-4-nitro-1H-imidazole, C4H4BrN3O2, (I), and 2-methyl-4-nitro-1H-imidazole-5-carbonitrile, C5H4N4O2, (II). These chains are almost identical, even though in (II) there are two symmetry-independent mols. in the asym. unit. The differences appear in the interactions between the chains; in (I), there are strong C-Br···O halogen bonds, which connect the chains into a two-dimensional grid, while in (II), the cyano group does not participate in specific interactions and the chains are only loosely connected into a three-dimensional structure. Crystallog. data are given.

Acta Crystallographica, Section C: Crystal Structure Communications published new progress about Crystal structure. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Safety of 5-Bromo-2-methyl-4-nitroimidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Tykarska, Ewa published the artcile2-(5-Bromo-2-methyl-4-nitroimidazol-1-yl)-1-(2-chlorophenyl)ethanone, HPLC of Formula: 18874-52-7, the main research area is mol structure bromomethylnitroimidazolyl chlorophenyl ethanone; crystal structure bromomethylnitroimidazolyl chlorophenyl ethanone.

In the title compound, C12H9BrClN3O3, the nitro group lies in the plane of the imidazole ring, whereas the benzene and acetyl groups are markedly twisted relative to the heterocyclic ring. A weak C-H…O interaction helps to establish the crystal packing. Crystal data: monoclinic, space group Cc, a 8.4929(8), b 23.8609(13), c 7.5005(5) Å, β 120.190(7)°, Z = 4, 2476 observed reflections with I > 2σ(I), 182 refined parameters, R[F2 > 2σ(F2)] = 0.022, wR(F2) = 0.054 at T = 220(2) K.

Acta Crystallographica, Section E: Structure Reports Online published new progress about Crystal structure. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, HPLC of Formula: 18874-52-7.

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