Month: December 2022

Weng, Qinjie published the artcilePhenotypic Screening-Based Identification of 3,4-Disubstituted Piperidine Derivatives as Macrophage M2 Polarization Modulators: An Opportunity for Treating Multiple Sclerosis, Application of Methyl 4-bromo-3-chlorobenzoate, the publication is Journal of Medicinal Chemistry (2019), 62(7), 3268-3285, database is CAplus and MEDLINE.

Multiple sclerosis (MS) is a disease of the autoimmune-mediated disorder in the central nervous system, for which no effective therapeutic agent is currently available. The regulation of macrophage polarization toward M2 is a general benefit for treating MS. The gene biomarker-based phenotypic screening approach was developed, and 3,4-disubstituted piperidine derivative S-28 was identified as a lead compound modulating macrophage M2 polarization. Further SAR studies resulted in the discovery of the most potent modulator D11 that showed good oral bioavailability and significant in vivo therapeutic effects. Mechanistic studies demonstrated that the M2 polarization macrophages modulated by D11 mainly functioned through inhibiting the proliferation of T-cells and activating the phosphorylation of Stat3 and Akt. Therefore, the gene biomarker-based phenotypic screening was demonstrated as a promising tool for the discovery of novel macrophage M2 polarization modulators. Compound D11 may serve as a promising starting point for the development of therapeutics to treat MS.

Journal of Medicinal Chemistry published new progress about 117738-74-6. 117738-74-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Ester, name is Methyl 4-bromo-3-chlorobenzoate, and the molecular formula is C8H7N3, Application of Methyl 4-bromo-3-chlorobenzoate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Patel, Hitesh published the artcileSynthesis and anti-inflammatory activity of some substituted benzothiazole derivatives of 3,5-dimethyl azopyrazole, Related Products of chlorides-buliding-blocks, the publication is Inventi Impact: Med Chem (2014), 118-128, 11 pp., database is CAplus.

A series of some novel 2-aminobenzothiazole derivatives were synthesized. These substituted 2-aminobenzothiazoles has been reacted with acetyl acetone and different hydrazines to give various (3,5-dimethyl-1-substituted phenyl-1H-pyrazole-4-yl)-(substituted benzothiazole-2-yl)-diazenes I (R = H, 6-Cl, 6-OMe, 6-Br, 6-NO₂, 4-Cl; R¹ = Ph, 4-ClC₆H₄, 2,4-di-O₂NC₆H₃). The synthesized compounds were screened for their anti-inflammatory activity by in-vitro method using analgin as a standard drug. Out of the eighteen test compounds, compounds I (R = 4-Cl, 4-OMe; R¹ = Ph, 2,4-di-O₂NC₆H₃, 4-ClC₆H₄) showed good anti-inflammatory activity.

Inventi Impact: Med Chem published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Singh, Pankaj Kumar published the artcileStructure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC, Recommanded Product: 3-Chlorobenzylchloride, the publication is Bioorganic & Medicinal Chemistry Letters (2019), 29(13), 1565-1571, database is CAplus and MEDLINE.

Secondary acquired mutant EGFR (L858R-T790M) overexpressed NSCLC forms one of the prevalent form of resistant NSCLC. Another subset of resistant NSCLC includes amplified cMET in mutant EGFR derived tumors. Thus, in continuation to our previous work on these two major targets of resistant NSCLC, i.e., EGFR (L858R-T790M) and cMET, we are hereby reporting reversible inhibitors of these kinases. Out of 11 lead mols. reported in our previous study, we selected triazolo-pyrimidone (BAS 09867482) scaffold for further development of small mol. dual and reversible inhibitors. Analogs of lead with different substituents on the side ring were sketched and docked in both the target kinases, followed by mol. dynamic simulations. Analogs maintaining hydrophobic interaction with M790 in secondary acquired mutant EGFR (L858R-T790M) were selected and duly synthesized. In vitro biochem. evaluation of these mols. against EGFR (L858R-T790M) and cMET kinase, along with EGFR (L858R) kinase disclosed that three mols. were having significant dual kinase inhibitory potential with IC₅₀ values well below 100 nM. Further, in vitro anti-proliferative assay against three cell lines (A549, A431 and H460) was performed. Out of all, two compounds were having significant potency against these cell lines.

Bioorganic & Medicinal Chemistry Letters published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C6H13BO3, Recommanded Product: 3-Chlorobenzylchloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhou, Zhikuan published the artcileCore-modified rubyrins containing dithienylethene moieties, Application In Synthesis of 219537-97-0, the publication is Angewandte Chemie, International Edition (2014), 53(25), 6563-6567, database is CAplus and MEDLINE.

Two stable core-modified rubyrins I and II bearing one and two dithienylethene (DTE) units were synthesized. With one “closed-form” DTE unit, I shows aromaticity associated with its conjugated circuit of 26 π-electrons. In contrast, II containing one “open-form” DTE unit has non-aromatic properties.

Angewandte Chemie, International Edition published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C16H20N2, Application In Synthesis of 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Murugesan, Kathiravan published the artcileReductive amination using cobalt-based nanoparticles for synthesis of amines, Application In Synthesis of 350-30-1, the publication is Nature Protocols (2020), 15(4), 1313-1337, database is CAplus and MEDLINE.

In this protocol, the preparation of carbon-supported cobalt-based nanoparticles as efficient and practical catalysts for synthesis of different kinds of amines by reductive aminations was described. Template synthesis of a cobalt-triethylenediamine-terephthalic acid metal-organic framework on carbon and subsequent pyrolysis to remove the organic template resulted in the formation of supported single cobalt atoms and nanoparticles. Applying these catalysts, structurally diverse benzylic, aliphatic and heterocyclic primary, secondary and tertiary amines, including pharmaceutically relevant products, starting from inexpensive and easily accessible carbonyl compounds with ammonia, nitro compounds or amines and mol. hydrogen were synthesized. To prepare this cobalt-based catalyst took 26 h, and the reported catalytic reductive amination reactions could be carried out within 18-28 h.

Nature Protocols published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Nayak, Sabita published the artcileDesign and Synthesis of (E)-4-(2-Phenyl-2H-chromen-3-yl)but-3-en-2-ones and Evaluation of their In Vitro Antimicrobial Activity, Recommanded Product: 5-Bromo-3-chloro-2-hydroxybenzaldehyde, the publication is Letters in Organic Chemistry (2015), 12(5), 352-358, database is CAplus.

2H-Chromene and its derivatives are an important class of organic compounds due to their wide range of biol. activities such as antimicrobial, antiviral, antiinflammatory and antitubercular agents. In the present work, we have synthesized ten new 2H-chromene derivatives [(E)-4-(2-phenyl-2H-chromen-3-yl)but-3-en-2-one and its substituted analogs] by aldol condensation of 2H-chromene-3-carbaldehydes with acetone. These products have been characterized by means of spectral data (1H, 13C, IR, Mass). The structure of (E)-4-(6,8-dichloro-2-phenyl-2H-chromen-3-yl)but-3-en-2-one was confirmed by X-ray anal. The compounds were evaluated for in vitro antimicrobial activity against two Gram pos. bacteria [Streptococcus mutans (MTCC 497) and Streptococcus pyogenes (MTCC 1926)] and three Gram neg. bacteria [Vibrio cholera (MTCC 3909), Shigella flexneri (MTCC 1457) and Salmonella enteric typhi (MTCC 1252)]. The obtained results from in vitro antimicrobial assays by the broth dilution method indicated that many of the compounds exhibited excellent activity against all the microorganisms in comparison to standard kanamycin.

Letters in Organic Chemistry published new progress about 19652-33-6. 19652-33-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Phenol,Aldehyde, name is 5-Bromo-3-chloro-2-hydroxybenzaldehyde, and the molecular formula is C7H4BrClO2, Recommanded Product: 5-Bromo-3-chloro-2-hydroxybenzaldehyde.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sen, Rajendra Nath published the artcileAlkali sulfonates of coumarin and nitrocoumarin, Formula: C9H5ClO4S, the publication is Journal of the Indian Chemical Society (1928), 433-7, database is CAplus.

The positions of the SO₃H groups in coumarinmono- (I) and -disulfonic acid (II) prepared by Perkin (J. Chem. Soc. 24, 37), and of the 6-nitrocoumarinsulfonic acid (III) were determined For this purpose, the ordinary methods were not applicable; alkali fusion, e. g., leading to a rupture in the lactonic ring of the coumarin mol. Therefore the lactonic ring was oxidized with KMnO₄ and known derivatives of o-HOC₂H₄CO₂H (IV) obtained. Thus I was shown to be coumarin-6 sulfonic acid. In III, the SO₃H group occupies a position in the lactone ring and is probably 6-nitrocoumarin-3-sulfonic acid in analogy with 3,6-dinitrocoumarin (J. Chem. Soc. 97, 1397), and similarly, II is probably coumarin-3,6-disulfonic acid. Some new derivatives of I, II and III were prepared The process of preparing I, II and III was improved by precipitating the SO₃H acids as the Na salts, and in the case of II, by substituting the ordinary fuming H₂SO₄ by 50% fuming H₂SO₄. Ten g. coumarin heated with 50 g. fuming H₂SO₄ for 2 h. on the water bath, cooled, filtered into saturated NaCl solution and kept for 1-2 days, gave 85% of the Na salt (V) of I; this salt gave with PCl₆ or POCl₃, the sulfonyl chloride (VI), m. 115°; from VI were prepared the amide, m. 186°, and the anilide, m. 132°. For the oxidation, V was dissolved in 2 N KOH and 4% KMnO₄ was slowly added at 0-10°. When the oxidation was complete, the solution was heated for 1 h. on the water bath, filtered, concentrated, and concentrated HCl added. The resulting acid K salt of 5,2-HO₃S(HO)C₆H₃CO₂,H (VII) was filtered off, recrystallized, and converted to the free acid. Na salt (VIII) of II, from 10 g. coumarin and 70 g. 50% fuming H₂SO₄ by heating for 3-4 h. to 150° on the oil bath, cooling and precipitating with NaCl solution Recrystallization gives VIII in 70% yield; disulfonyl chloride, m. 170-3°; diamide, m.above 240°, dianilide, yellow. Oxidation of VIII, carried out as in the case of V, leads to formation of VII. Na salt (IX)of III, (80% from 10g. 6-nitrocoumarin and 60 g. 50% fuming H₂SO₄ by heating to 150° for 3-4 h. and precipitating with NaCl solution), yellowish; sulfonyl chloride, m. 205°; amide, does not m. 260°; anilide, m. 130°. The product of oxidation of IX was identified as 5,2-O₂N(HO)C₆H₂3CO₂H.

Journal of the Indian Chemical Society published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C20H32B2O4, Formula: C9H5ClO4S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Ortiz Zacarias, Natalia V. published the artcileDesign and Characterization of an Intracellular Covalent Ligand for CC Chemokine Receptor 2, SDS of cas: 32333-53-2, the publication is Journal of Medicinal Chemistry (2021), 64(5), 2608-2621, database is CAplus and MEDLINE.

Covalently acting inhibitors constitute a large and growing fraction of approved small-mol. therapeutics as well as useful tools for a variety of in vitro and in vivo applications. Here, we aimed to develop a covalent antagonist of CC chemokine receptor 2 (CCR2), a class A GPCR that has been pursued as a therapeutic target in inflammation and immuno-oncol. Based on a known intracellularly binding CCR2 antagonist, several covalent derivatives were synthesized and characterized by radioligand binding and functional assays. These studies revealed compound 14 as an intracellular covalent ligand for CCR2. In silico modeling followed by site-directed mutagenesis confirmed that 14 forms a covalent bond with one of three proximal cysteine residues, which can be engaged interchangeably. To our knowledge, compound 14 represents the first covalent ligand reported for CCR2. Due to its unique properties, it may represent a promising tool for ongoing and future studies of CCR2 pharmacol.

Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, SDS of cas: 32333-53-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kosevich, Marina V. published the artcileIs there a ‘matrix suppression effect’ under fast-atom bombardment liquid secondary ion mass spectrometry of ionic surfactants in glycerol?, SDS of cas: 38146-42-8, the publication is Rapid Communications in Mass Spectrometry (2007), 21(4), 466-478, database is CAplus.

Some features of a ‘matrix suppression effect’ caused by ionic surface-active compounds under fast-atom bombardment (FAB) liquid secondary ion mass spectrometry (LSIMS) are being revised. It is shown that abundant transfer of the glycerol matrix mols. to the gas phase does occur under FAB-LSIMS of ionic surfactants, contrary to popular belief. This process can be obscure because of the dependence of the charge state of the glycerol-containing cluster ions on the type of ionic surfactant. It is revealed that, while glycerol matrix signals are really completely suppressed in the pos. ion mass spectra of cationic surfactants (decamethoxinum, aethonium), abundant deprotonated glycerol and glycerol-anion clusters are recorded in the neg. ion mode. In the case of an anionic surfactant (sodium dodecyl sulfate), on the contrary, glycerol is completely suppressed in the neg. ion mode, but is present in the protonated and cationized forms in the pos. ion mass spectra. It is suggested that such patterns of pos. and neg. ion FAB-LSIMS spectra of ionic surfactants solutions reflect the structure and composition of the elec. double layer formed at the vacuum-liquid interface by organic cations or anions and their counterions. Processes leading to the formation of the glycerol-containing ions preferentially of pos. or neg. charge are discussed. The most obvious of them is efficient binding of glycerol to inorganic counterions of the salts Cl^– or Na⁺, which is confirmed by data from quantum chem. calculations The high content of the counterions and relatively small content of glycerol in the sputtered zone may be responsible for the charge-selective suppression of neat glycerol clusters of opposite charge to the counterions. In the case of a mixture of cationic and anionic surfactants the substitution of inorganic counterions by organic ones was observed The dependence of the exchange rate in the surface layer is not a linear function of the bulk solution concentration, and an effect of abrupt recharging of the surface can be registered. No both pos. or neg. charged pure glycerol and glycerol-inorganic counterion clusters are recorded for the mixture Correlations between the mass spectrometric observations and some phenomena of surface and colloid chem. and physics are discussed.

Rapid Communications in Mass Spectrometry published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, SDS of cas: 38146-42-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hudson, Sian R. published the artcileEvaluation of a Solid-Supported Tagging Strategy for Mass Spectrometric Analysis of Peptides, Related Products of chlorides-buliding-blocks, the publication is ACS Combinatorial Science (2012), 14(2), 97-100, database is CAplus and MEDLINE.

The authors have explored two divinylbenzene cross-linked polystyrene supports for use in a solid-supported N-terminal peptide tagging strategy. Resin-bound tags designed to be cleaved in a single step at the N-terminus of peptides have been devised and explored as peptide N-terminal tagging reagents (constructs) for subsequent mass spectrometric anal. While the brominated tagging approach shows promise, the use of these specific solid supports has drawbacks, in terms of tagging reaction scale, for real applications in proteomics.

ACS Combinatorial Science published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics