Tag: M.W=200-250

Ambre, Premlata K. published the artcileMolecular modeling studies, synthesis and biological evaluation of novel Plasmodium falciparum lactate dehydrogenase (pfLDH) inhibitors, Recommanded Product: 5-Bromo-6-hydroxynicotinic acid, the main research area is lactate dehydrogenase Plasmodium inhibitor synthesis mol modeling antimalarials.

In silico methods have been used to identify five different classes of compounds as inhibitors of the essential Plasmodium falciparum enzyme lactate dehydrogenase (LDH). The mols. were assayed for in vitro antimalarial activity in both cell- and enzyme-based inhibition models. 5-Bromo-2-hydroxypyridine-3-carboxylic acid 19 is the most active with IC50 of 3.5 nM for chloroquine sensitive and 5 nM for resistant strains of Plasmodium falciparum, compared to 11 nM and 100 nM for the standard chloroquine. In LDH-enzyme inhibition assays the leading compounds are 5, 10, 18 and 19. Docking studies and the 3D-QSAR technique – CoRIA have been used to identify key binding elements between the mols. and residues in the LDH active site. A bifurcated salt bridge that associates the carboxylate group on the mols. with the guanidino group in the side chain of both Arg109 and Arg171 along with π-stack of the heterocycle with the pyridine ring of the cofactor NAD+, are the prime interactions. In silico ADME/toxicity studies also suggest these mols. have favorable pharmacokinetic and toxicity profiles.

Anti-Infective Agents published new progress about Antimalarials. 41668-13-7 belongs to class bromides-buliding-blocks, name is 5-Bromo-6-hydroxynicotinic acid, and the molecular formula is C6H4BrNO3, Recommanded Product: 5-Bromo-6-hydroxynicotinic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Jian-Yuan published the artcilePalladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis, Recommanded Product: 2-Bromo-4-methoxybenzoic acid, the main research area is palladium catalyzed hydroxycarbonylation heteroaryl halide DNA encoded library synthesis.

A strategy for DNA-compatible, palladium-catalyzed hydroxycarbonylation of (hetero)aryl halides on DNA-chem. conjugates has been developed. This method generally provided the corresponding carboxylic acids in moderate to very good conversions for (hetero)aryl iodides and bromides, and in poor to moderate conversions for (hetero)aryl chlorides. These conditions were further validated by application within a DNA-encoded chem. library synthesis and subsequent discovery of enriched features from the library in selection experiments against two protein targets.

Bioconjugate Chemistry published new progress about Carbonylation. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Recommanded Product: 2-Bromo-4-methoxybenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Figueiredo, Tamiris published the artcileSelf-crosslinking smart hydrogels through direct complexation between benzoxaborole derivatives and diols from hyaluronic acid, Formula: C8H6BrFO2, the main research area is hydrogel benzoxaborole derivative diol hyaluronic acid direct complexation.

Boronate ester cross-linked hydrogels have emerged as promising injectable scaffolds for biomedical applications given their rapid self-healing ability. For a rational design of such networks, all variables influencing their dynamic rheol. properties, especially the boronic acid and the diol-containing mol. selected as mol. crosslinkers have to be carefully considered. Herein, by tailoring the structure of benzoxaborole (BOR), self-crosslinking hydrogels based on hyaluronic acid (HA) modified with BOR derivatives are obtained for the first time through the direct BOR-HA diol complexation at physiol. pH. Among the different HA-BOR conjugates investigated, those prepared from 6-amino-7-fluoro-3,3-dimethyl benzoxaborole (HA-DMF6ABOR) and 7-amino-3,3-dimethyl benzoxaborole (HA-DM7ABOR) show unprecedented self-crosslinking properties, leading to the formation of self-healing hydrogels with extremely slow dynamics. These networks also exhibit remarkable pH- and glucose-responsive behaviors. These properties are related to the peculiar structure of these two BOR moieties, having as the common feature, a gem-di-Me group in the oxaborole ring and an ortho-substituent in the Ph ring. Mol. dynamic simulations are used to provide insight in the role of these substituents in the outstanding capability of DMF6ABOR and DM7ABOR to crosslink HA. They show that BOR complexation induces changes in conformation of HA favoring formation of a highly entangled 3D network.

Polymer Chemistry published new progress about Aqueous solutions. 647020-71-1 belongs to class bromides-buliding-blocks, name is Methyl 2-bromo-3-fluorobenzoate, and the molecular formula is C8H6BrFO2, Formula: C8H6BrFO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Choi, P. published the artcileReaction of 3-azido-5-phenyl-1,2,4-oxadiazole with dimethylformamide, a new deoxygenative coupling reaction, HPLC of Formula: 23432-94-2, the main research area is azidophenyloxadiazole deoxygenative coupling DMF; oxadiazole azido deoxygenative coupling; methylaminooxadiazole; aminomethyleneaminooxadiazole.

Heating the bromooxadiazole I (R = Br) with NaN3 in anhydrous DMF at 130° for 3 h gave the oxadiazoles I (R = NMe2, N:CHNMe2) in 39 and 34% yield, resp. The latter is formed by a new deoxygenative coupling of the azide I (R = N3) (the product of the reaction at 90°), or the nitrene derived from it, with DMF.

Tetrahedron Letters published new progress about Coupling reaction. 23432-94-2 belongs to class bromides-buliding-blocks, name is 3-Bromo-5-phenyl-1,2,4-oxadiazole, and the molecular formula is C8H5BrN2O, HPLC of Formula: 23432-94-2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hu, De-Xuan published the artcileSynthesis of Methoxy-, Methylenedioxy-, Hydroxy-, and Halo-Substituted Benzophenanthridinone Derivatives as DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1) Inhibitors and Their Biological Activity for Drug-Resistant Cancer, Quality Control of 74317-85-4, the main research area is benzophenanthridinone preparation TOP1 TDP1 enzyme inhibitor antitumor SAR.

Herein, the synthesis of benzophenanthridinone derivatives I [R = 1-MeO, 2-Br, 8-OH, etc], II [R1 = R2 = 2,3-OCH2O, 8,9-Meo, 8,9-F], III [R3 = 8-F, 8-Br, 9-MeO; R4 = R5 = 2,3-OCH2O, 2,3-MeO, etc] as TOP1 and TDP1 inhibitors was reported. Seven compounds III [R3 = 8-F, 8-NO2, 8-MeO, 9-Cl, 7,8-OH, 8,9-F; R4 = R5 = 2,3-OCH2O] showed a robust TOP1 inhibitory activity (+++ or ++++), and four compounds I [R = 12-MeO] and III [R3 = 7,8-OH, 8-MeO, 8,9-MeO; R4 = R5 = 2,3-OCH2O, 8,9-MeO] showed a TDP1 inhibition (half-maximal inhibitory concentration values of 15 or 19μM). Also the dual TOP1 and TDP1 inhibitor III [R = 2,3-OCH2O, 7,8-OH] induces both cellular TOP1cc, TDP1cc formation and DNA damage was showed ,resulting in cancer cell apoptosis at a sub-micromolar concentration In addition, III [R = 2,3-OCH2O, 7,8-OH] showed an enhanced activity in drug-resistant MCF-7/TDP1 cancer cells and was synergistic with topotecan in both MCF-7 and MCF-7/TDP1 cells.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Quality Control of 74317-85-4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Melin, Lea published the artcileDevelopment of LM98, a Small-Molecule TEAD Inhibitor Derived from Flufenamic Acid, Quality Control of 647020-71-1, the main research area is anticancer agent cell migration TEAD LM98 flufenamic acid; Flufenamic acid; Hippo pathway; SAR; TEAD; palmitic acid.

The YAP-TEAD transcriptional complex is responsible for the expression of genes that regulate cancer cell growth and proliferation. Dysregulation of the Hippo pathway due to overexpression of TEAD has been reported in a wide range of cancers. Inhibition of TEAD represses the expression of associated genes, demonstrating the value of this transcription factor for the development of novel anti-cancer therapies. We report herein the design, synthesis and biol. evaluation of LM98, a flufenamic acid analog. LM98 shows strong affinity to TEAD, inhibits its autopalmitoylation and reduces the YAP-TEAD transcriptional activity. Binding of LM98 to TEAD was supported by 19F-NMR studies while co-crystallization experiments confirmed that LM98 is anchored within the palmitic acid pocket of TEAD. LM98 reduces the expression of CTGF and Cyr61, inhibits MDA-MB-231 breast cancer cell migration and arrests cell cycling in the S phase during cell division.

ChemMedChem published new progress about Antitumor agents. 647020-71-1 belongs to class bromides-buliding-blocks, name is Methyl 2-bromo-3-fluorobenzoate, and the molecular formula is C8H6BrFO2, Quality Control of 647020-71-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kuo, Gee-Hong published the artcileSynthesis and structure-activity relationships of pyrazine-pyridine biheteroaryls as novel, potent, and selective vascular endothelial growth factor receptor-2 inhibitors, Computed Properties of 41668-13-7, the main research area is pyridinyltin dichloropyrazine Stille coupling; chloropyrazine pyridine preparation; pyrazine pyridine derivative preparation VEGFR2 ligand; pyridine pyrazine derivative preparation anticancer.

There is much evidence that direct inhibition of the kinase activity of vascular endothelial growth factor receptor-2 (VEGFR-2) will result in the reduction of angiogenesis and the suppression of tumor growth. Palladium-catalyzed C-C bond, C-N bond formation reactions were used to assemble various pyrazine-pyridine biheteroaryls as potent VEGFR-2 inhibitors. Among them, I [R = NH(CH2)4OH, NH(CH2)2NMe2] exhibited the highest kinase selectivity against fibroblast growth factor receptor kinase, platelet-derived growth factor receptor kinase, and glycogen synthase kinase-3. All of these compounds showed good cellular potency to inhibit VEGF-stimulated proliferation of human umbilical vein endothelial cells (HUVEC) but with modest effects on the unstimulated growth of HUVEC. The low inhibition of these compounds to the growth of tumor cell lines, such as HeLa, HCT-116, and A375 further confirms that these VEGFR-2 inhibitors are not cytotoxic agents. The in vivo antitumor activity of I were demonstrated in the A375 human melanoma xenograft nude mice model. Mol. modeling (QSAR anal.) was conducted in an attempt to rationalize the observed structure-activity relationship.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 41668-13-7 belongs to class bromides-buliding-blocks, name is 5-Bromo-6-hydroxynicotinic acid, and the molecular formula is C6H4BrNO3, Computed Properties of 41668-13-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Aoyama, Hiroshi published the artcileFused heterocyclic amido compounds as anti-hepatitis C virus agents, Safety of 2-Bromo-4-methoxybenzoic acid, the main research area is fused heterocyclic amido compound preparation antiviral hepatitis C.

We identified a fused heteroaromatic amido structure based on the phenanthridine skeleton as a superior scaffold for candidate drugs with potent anti-HCV activity. Among the compounds synthesized, a phenanthridine analog with a 1,3-dioxolyl group (24) possessed the most potent anti-HCV activity (EC50 value: 50 nM), with acceptable cytotoxicity. The structural development and structure-activity relationships of these compounds are described.

Bioorganic & Medicinal Chemistry published new progress about Antiviral agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Safety of 2-Bromo-4-methoxybenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Fen-Fen published the artcileSynthesis and antibacterial activity studies in vitro of indirubin-3′-monoximes, COA of Formula: C8H7BrO3, the main research area is indirubin monoxime preparation antibacterial activity.

Multi-drug-resistant microbial pathogens are a serious global health problem. New compounds with antibacterial activity serve as good candidates for developing novel antibacterial drugs which is very urgent and important. In this work, based on the unique scaffold of indirubin, an active ingredient of traditional Chinese medicine formulation Danggui Luhui Wan, we synthesized 29 indirubin-3′-monoximes and preliminarily evaluated their antibacterial activities. The antibacterial activity results demonstrated that the synthesized indirubin-3′-monoximes 5a-5z and 5aa-5ad displayed good potency against S. aureus ATCC25923 (MIC = 0.4-25.6 μg mL-1). Among them, we found that the 5-F, 5-Cl and 7-CF3 substituted indirubin-3′;-monoximes 5r, 5s and 5aa also showed better antibacterial efficiency for S. aureus (MICs up to 0.4 μg mL-1) than the prototype natural product indirubin (MIC = 32 μg mL-1). More importantly, indirubin-3′-monoxime 5aa has certain synergistic effect with levofloxacin against clinic multidrug-resistant S. aureus (fractional inhibitory concentration index: 0.375). In addition, relevant experiments including electron microscopy observations, PI staining and the leakage of extracellular potassium ions and nucleic acid (260 nm) have been performed after treating S. aureus with indirubin-3′-monoxime 5aa, and the results revealed that indirubin-3′-monoximes could increase the cell membrane permeability of S. aureus. Although indirubin-3′-monoxime 5aa showed some cytotoxicity toward SH-SY5Y cells relative to compounds 5r and 5s, the skin irritation test of male mice after shaving showed that compound 5aa at a concentration of 12.8 μg mL-1 had no toxicity to mouse skin, and it could be used as a leading compound for skin antibacterial drugs.

RSC Advances published new progress about Antibacterial agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, COA of Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kunitomo, Jun Ichi published the artcileThe structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC, Application In Synthesis of 74317-85-4, the main research area is dibenzoquinolinone alkaloid Menispermum; Menispermum dauriporphine dihydromenisporphine; menisporphine dihydro structure.

Two structurally unidentified alkaloids (tentatively named bases III and IV), isolated from Menispermum dauricum DC. (Menispermaceae), were found to be dauriporphine (I), a known oxoisoaporphine-type alkaloid, and 2,3-dihydromenisporphine (II), a new alkaloid of the same type, resp. The structure of dauriporphine was confirmed by synthesis of 4,5,6,9-tetramethoxy-7H-dibenzo[de,h]quinolin-7-one (I).

Chemical & Pharmaceutical Bulletin published new progress about Menispermum dauricum. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Application In Synthesis of 74317-85-4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary