Tag: M.W=200-250

Krupkova, Sona published the artcile4-Chloro-2-Fluoro-5-Nitrobenzoic Acid as a Possible Building Block for Solid-phase Synthesis of Various Heterocyclic Scaffolds, Category: chlorides-buliding-blocks, the main research area is benzimidazole benzotriazole benzodiazepinedione succinimide solid phase synthesis; benzoic acid chloro fluoro nitro heterocyclic building block.

4-Chloro-2-fluoro-5-nitrobenzoic acid is a com. available multireactive building block that can serve as a starting material in heterocyclic oriented synthesis (HOS) leading to various condensed nitrogenous cycles. This work describes the use of this compound for the preparation of substituted nitrogenous heterocycles having 5-7-membered cycles via polymer-supported o-phenylenediamines. Immobilization of this acid on Rink resin via nucleophilic aromatic substitution of fluorine followed by further chlorine substitution, reduction of a nitro group and appropriate cyclization afforded benzimidazoles, benzotriazoles, quinoxalinones, benzodiazepinediones and succinimides. The method developed is suitable for the synthesis of diverse libraries including the mentioned types of heterocycles, which have significant importance in current drug discovery. The limitations of this method and unsuccessful attempts to prepare an 8-membered benzodiazocine ring are also reported.

ACS Combinatorial Science published new progress about Heterocyclization. 35112-05-1 belongs to class chlorides-buliding-blocks, name is 4-Chloro-2-fluoro-5-nitrobenzoic acid, and the molecular formula is C7H3ClFNO4, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Senkardes, Sevil published the artcileSynthesis, molecular docking and evaluation of novel sulfonyl hydrazones as anticancer agents and COX-2 inhibitors, Product Details of C8H4ClF3O, the main research area is prostate breast cancer fibroblast cell COX2 inhibitor sulfonyl hydrazone; Anticancer activity; Apoptosis; Cyclooxygenase; Molecular docking; Sulfonylhydrazones.

In trying to develop new anticancer agents, a series of sulfonylhydrazones were synthesized. All synthesized compounds were checked for identity and purity using elemental anal., TLC and HPLC and were characterized by their m.ps., FT-IR and NMR spectral data and evaluated for their cytotoxic activity against prostate cancer (PC3), breast cancer (MCF-7) and L929 mouse fibroblast cell lines. Among them, N’-[(2-chloro-3-methoxyphenyl)methylidene]-4-methylbenzenesulfonohydrazide (3k) showed the potent anticancer activity against both cancer cells with good selectivity. Further investigation confirmed that 3k displayed morphol. alterations in PC3 and MCF-7 cells and promoted apoptosis through down-regulation of the Bcl-2 and upregulation of Bax expression. Addnl., compound 3k was identified as the most potent COX-2 inhibitor (91% inhibition) beside lower COX-1 inhibition. Mol. docking of the tested compounds represented important binding modes which may be responsible for their anticancer activity via inhibition of the COX-2 enzyme. Overall, the lead compound 3k deserves further development as a potential anticancer agent.

Molecular Diversity published new progress about Antitumor agents. 93118-03-7 belongs to class chlorides-buliding-blocks, name is 2-Chloro-3-(trifluoromethyl)benzaldehyde, and the molecular formula is C8H4ClF3O, Product Details of C8H4ClF3O.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wilson, Jennifer M. published the artcileSynthesis of 5-deazaflavin derivatives and their activation of p53 in cells, Name: 2-Chloro-3-(trifluoromethyl)benzaldehyde, the main research area is structure deazaflavin derivative preparation p53 antitumor apoptosis E3 HMD2.

A family of 5-deazaflavin derivatives has been synthesized using a two-step convergent strategy. The biol. activity of these compounds was evaluated in cells, by assessing their ability to stabilize and activate p53. These compounds may act as low mol. weight inhibitors of the E3 activity of HMD2 in tumors that retain wild-type p53. Importantly, we have demonstrated that the nitro group present in all three of the original lead compounds [1-3 (HL198C-E)] is not essential for observation of this biol. activity.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 93118-03-7 belongs to class chlorides-buliding-blocks, name is 2-Chloro-3-(trifluoromethyl)benzaldehyde, and the molecular formula is C8H4ClF3O, Name: 2-Chloro-3-(trifluoromethyl)benzaldehyde.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ashraf-Uz-Zaman, Md. published the artcileDesign, synthesis and structure-activity relationship study of novel urea compounds as FGFR1 inhibitors to treat metastatic triple-negative breast cancer, COA of Formula: C13H9ClO2, the main research area is structure preparation urea compound FGFR1 inhibitor metastatic breast cancer; Blood-brain-barrier; FGFR1; In silico; Neurotoxicity; Synthesis; Triple-negative breast cancer.

Triple-neg. breast cancer (TNBC) is an aggressive type of cancer characterized by higher metastatic and reoccurrence rates, where approx. one-third of TNBC patients suffer from the metastasis in the brain. At the same time, TNBC shows good responses to chemotherapy, a feature that fuels the search for novel compounds with therapeutic potential in this area. Recently, we have identified novel urea-based compounds with cytotoxicity against selected cell lines and with the ability to cross the blood-brain barrier in vivo. We have synthesized and analyzed a library of more than 40 compounds to elucidate the key features responsible for the observed activity. We have also identified FGFR1 as a mol. target that is affected by the presence of these compounds, confirming our data using in silico model. Overall, we envision that these compounds can be further developed for the potential treatment of metastatic breast cancer.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 61343-99-5 belongs to class chlorides-buliding-blocks, name is 4-(4-Chlorophenoxy)benzaldehyde, and the molecular formula is C13H9ClO2, COA of Formula: C13H9ClO2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Lakhani, Kinjal published the artcileDesign, Syntheses, and Bioevaluations of Some Novel N2-Acryloylbenzohydrazides as Chemostimulants and Cytotoxic Agents, Related Products of chlorides-buliding-blocks, the main research area is acryloylbenzohydrazide chemostimulant cytotoxic agent colon breast cancer human; acryloylhydrazides; antineoplastic agents; chemosensitization; cytotoxins; mitochondrial membrane potential; reactive oxygen species.

A series of novel N2-acryloylhydrazides 1a-m and a related series of compounds 6a-c were prepared as potential chemostimulants. In general, these compounds are cytotoxic to human HCT 116 colon cancer cells, as well as human MCF-7 and MDA-MB-231 breast cancer cell lines. A representative compound N1-(3,4-dimethoxyphenylcarbonyl)-N2-acryloylhydrazine 1m sensitized HCT 116 cells to the potent antineoplastic agent 3,5-bis(benzylidene)-4-piperidone 2a, and also to 5-fluorouracil. A series of compounds was prepared that incorporated some of the mol. features of 2a and related compounds with various N2-acryloylhydrazides in series 1. These compounds are potent cytotoxins. Two modes of action of representative compounds are the lowering of mitochondrial membrane potential and increasing the concentration of reactive oxygen species.

Medicines published new progress about Antitumor agents. 35112-27-7 belongs to class chlorides-buliding-blocks, name is Ethyl 2,5-dichlorobenzoate, and the molecular formula is C9H8Cl2O2, Related Products of chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Czako, Barbara published the artcileDiscovery of IACS-9439, a Potent, Exquisitely Selective, and Orally Bioavailable Inhibitor of CSF1R, Related Products of chlorides-buliding-blocks, the main research area is discovery IACS 9439 preparation inhibitor CSF1R SAR anticancer.

Tumor-associated macrophages (TAMs) have a significant presence in the tumor stroma across multiple human malignancies and are believed to be beneficial to tumor growth. Targeting CSF1R has been proposed as a potential therapy to reduce TAMs, especially the protumor, immune-suppressive M2 TAMs. Addnl., the high expression of CSF1R on tumor cells has been associated with poor survival in certain cancers, suggesting tumor dependency and therefore a potential therapeutic target. The CSF1-CSF1R signaling pathway modulates the production, differentiation, and function of TAMs; however, the discovery of selective CSF1R inhibitors devoid of type III kinase activity has proven to be challenging. We discovered a potent, highly selective, and orally bioavailable CSF1R inhibitor, IACS-9439 (I). Treatment with I led to a dose-dependent reduction in macrophages, promoted macrophage polarization toward the M1 phenotype, and led to tumor growth inhibition in MC38 and PANC02 syngeneic tumor models.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 100959-51-1 belongs to class chlorides-buliding-blocks, name is 2-Chloro-5-methoxy-4-nitrophenol, and the molecular formula is C7H6ClNO4, Related Products of chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Woo, L. W. Lawrence published the artcileDual Aromatase-Steroid Sulfatase Inhibitors, Name: 3-Chloro-4-hydroxy-5-methoxybenzoic acid, the main research area is YM511 sulfamate analog preparation structure aromatase steroid sulfatase inhibitor.

By introducing the steroid sulfatase inhibitory pharmacophore into aromatase inhibitor 1 (YM511), two series of single agent dual aromatase-sulfatase inhibitors (DASIs) were generated. Two best DASIs (I and II) in vitro (JEG-3 cells) had IC50(aromatase) = 0.82 nM; IC50(sulfatase) = 39 nM, and IC50(aromatase) = 0.77 nM; IC50(sulfatase) = 590 nM, resp. X-ray crystallog. of I, and docking studies of selected compounds into an aromatase homol. model and the steroid sulfatase crystal structure are presented. Both I and II inhibit aromatase and sulfatase in PMSG pretreated adult female Wistar rats potently 3 h after a single oral 10 mg/kg dose. Almost complete dual inhibition is observed for I but the levels were reduced to 85% (aromatase) and 72% (sulfatase) after 24 h. DASI I did not inhibit aldosterone synthesis. The development of a potent and selective DASI should allow the therapeutic potential of dual aromatase-sulfatase inhibition in hormone-dependent breast cancer to be assessed.

Journal of Medicinal Chemistry published new progress about Aromatase inhibitors. 62936-23-6 belongs to class chlorides-buliding-blocks, name is 3-Chloro-4-hydroxy-5-methoxybenzoic acid, and the molecular formula is C8H7ClO4, Name: 3-Chloro-4-hydroxy-5-methoxybenzoic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Benniston, Andrew C. published the artcileIntramolecular excimer formation and delayed fluorescence in sterically constrained pyrene dimers, Safety of Pyrene-2-carboxylic acid, the main research area is intramol excimer delayed fluorescence sterically constrained pyrene dimer.

The synthesis is described for five mol. dyads comprising pyrene-based terminals covalently linked through a 1,3-disubstituted phenylene spacer. The extent of through-space communication between the pyrene units is modulated by steric interactions imposed by bulky moieties attached at the 6,8-positions of each pyrene unit. For the control compound, only hydrogen atoms occupy the 6,8 positions (DP1), whereas the remaining compounds incorporate ethynylene groups terminated with either triisopropylsilyl (DP2), 1-tert-butylbenzene (DP3), 2,6-di-tert-butylbenzene (DP4) or 1-tert-butyl-3,5-dimethylbenzene (DP5) units. Each compound shows a mixture of monomer and excimer fluorescence in fluid solution at room temperature, but only monomer emission in a glassy matrix at 77 K. The ratio of monomer to excimer fluorescence depends markedly on the mol. structure; DP1 is heavily biased in favor of the excimer and DP4 is enriched with monomer fluorescence. Photophys. properties, including laser induced and delayed fluorescence data, are reported for each compound Delayed fluorescence occurs by both intramol. and bimol. steps, but these events take place on different timescales. The possibility is raised for using intramol. triplet-triplet annihilation as a means of mol. imaging.

Chemistry – A European Journal published new progress about Correlation analysis. 36428-96-3 belongs to class chlorides-buliding-blocks, name is Pyrene-2-carboxylic acid, and the molecular formula is C17H10O2, Safety of Pyrene-2-carboxylic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Mayr, Stefanie published the artcileSize-Driven Inversion of Selectivity in Esterification Reactions: Secondary Beat Primary Alcohols, Category: chlorides-buliding-blocks, the main research area is secondary primary alc acylation anhydride esterification selectivity MSPR.

Relative rates for the Lewis base-mediated acylation of secondary and primary alcs. carrying large aromatic side chains with anhydrides differing in size and electronic structure have been measured. While primary alcs. react faster than secondary ones in transformations with monosubstituted benzoic anhydride derivatives, relative reactivities are inverted in reactions with sterically biased 1-naphthyl anhydrides. Further anal. of reaction rates shows that increasing substrate size leads to an actual acceleration of the acylation process, the effect being larger for secondary as compared to primary alcs. Computational results indicate that acylation rates are guided by noncovalent interactions (NCIs) between the catalyst ring system and the DED substituents in the alc. and anhydride reactants. Thereby stronger NCIs are formed for secondary alcs. than for primary alcs.

Journal of Organic Chemistry published new progress about Activation enthalpy. 36428-96-3 belongs to class chlorides-buliding-blocks, name is Pyrene-2-carboxylic acid, and the molecular formula is C17H10O2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhu, Junjie published the artcileDesign, synthesis, and structure-activity relationships of 3,4,5-trisubstituted 4,5-dihydro-1,2,4-oxadiazoles as TGR5 agonists in the treatment of type 2 diabetes mellitus and other metabolic disorders, COA of Formula: C8H4ClF3O, the main research area is dihydro oxadiazole preparation TGR5 agonist treatment diabetes metabolic disorder.

Given its role in the mediation of energy and glucose homeostasis, the G-protein-coupled bile acid receptor 1 (TGR5) is considered a potential target for the treatment of type 2 diabetes mellitus and other metabolic disorders. By thorough anal. of diverse structures of published TGR5 agonists, a hypothetical ligand-based pharmacophore model was built, and a new class of potent TGR5 agonists, based on the novel 3,4,5-trisubstituted 4,5-dihydro-1,2,4-oxadiazole core, was discovered by rational design. Three distinct synthetic methods for constructing 4,5-dihydro-1,2,4-oxadiazoles, e.g., I, and extensive structure-activity relationship studies are reported herein. Compound I, the structure of which was determined by single-crystal X-ray diffraction and quantum chem. solid-state TDDFT-ECD calculations, showed the best potency, with an EC50 value of 1.4 nM toward hTGR5. Its favorable properties in vitro warrant further investigation.

ChemMedChem published new progress about Antidiabetic agents. 93118-03-7 belongs to class chlorides-buliding-blocks, name is 2-Chloro-3-(trifluoromethyl)benzaldehyde, and the molecular formula is C8H4ClF3O, COA of Formula: C8H4ClF3O.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics