Tag: M.W=100-150

Wang, Yi published the artcileDiscovery of SARS-CoV-2-E channel inhibitors as antiviral candidates, Product Details of C6H8O4, the publication is Acta Pharmacologica Sinica (2022), 43(4), 781-787, database is CAplus and MEDLINE.

Abstract: Lack of efficiency has been a major problem shared by all currently developed anti-SARS-CoV-2 therapies. Our previous study shows that SARS-CoV-2 structural envelope (2-E) protein forms a type of cation channel, and heterogeneously expression of 2-E channels causes host cell death. In this study we developed a cell-based high throughput screening (HTS) assay and used it to discover inhibitors against 2-E channels. Among 4376 compounds tested, 34 hits with cell protection activity were found. Followed by an anti-viral anal., 15 compounds which could inhibit SARS-CoV-2 replication were identified. In electrophysiol. experiments, three representatives showing inhibitory effect on 2-E channels were chosen for further characterization. Among them, proanthocyanidins directly bound to 2-E channel with binding affinity (K_D) of 22.14 μM in surface plasmon resonance assay. Mol. modeling and docking anal. revealed that proanthocyanidins inserted into the pore of 2-E N-terminal vestibule acting as a channel blocker. Consistently, mutations of Glu 8 and Asn 15, two residues lining the proposed binding pocket, abolished the inhibitory effects of proanthocyanidins. The natural product proanthocyanidins are widely used as cosmetic, suggesting a potential of proanthocyanidins as disinfectant for external use. This study further demonstrates that 2-E channel is an effective antiviral drug target and provides a potential antiviral candidate against SARS-CoV-2.

Acta Pharmacologica Sinica published new progress about 624-49-7. 624-49-7 belongs to esters-buliding-blocks, auxiliary class Inhibitor,Natural product, name is Dimethyl fumarate, and the molecular formula is C7H7IN2O, Product Details of C6H8O4.

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

Abadleh, Mohammed M. published the artcileSynthesis and Biological Activity of Some New N1-(6-fluoro-4-oxoquinolin-8-yl)amidrazones, Safety of Ethyl 3-(dimethylamino)acrylate, the publication is Letters in Organic Chemistry (2014), 11(9), 664-670, database is CAplus.

A selected set of five N1-(6-fluoro-4-oxoquinolin-8-yl)amidrazone-3-carboxylates incorporating piperazines and related congeners has been synthesized by reacting the hydrazonoyl chloride, derived from 8-amino-6-fluoro-4-oxoquinline-3-carboxylate, with the appropriate sec-cyclic amines. Their suggested structures are supported by elemental anal., 1H NMR, 13C NMR and ESI-HRMS spectral data. These novel compounds were screened for their antitumor and antibacterial activity. While no significant antitumor activity was observed, three compounds, e.g. I, have shown moderate in vitro antibacterial activity against Gram pos. bacteria cells. Unlike the others, compound I has also shown to moderately inhibit the growth of Gram neg. bacteria.

Letters in Organic Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Safety of Ethyl 3-(dimethylamino)acrylate.

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

Al-Huniti, Mohammed H. published the artcileHeterocycles [h]fused onto 4-oxoquinoline-3-carboxylic acid, Part IV. Convenient synthesis of substituted hexahydro[1,4]thiazepino[2,3-h]quinoline-9-carboxylic acid and its tetrahydroquino[7,8-b]benzothiazepine homolog, Computed Properties of 924-99-2, the publication is Molecules (2007), 12(8), 1558-1568, database is CAplus and MEDLINE.

Substituted [1,4]thiazepino[2,3-h]quinolinecarboxylate I is prepared by PPA-catalyzed thermal lactamization of the resp. 8-amino-7-[(2-carboxyethyl)thio]-1,4-dihydroquinoline-3-carboxylate. The latter synthon is obtained by reduction of the 8-nitro-1,4-dihydroquinoline precursor 8 which, in turn, is made accessible via interaction of 3-mercaptopropionate with 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-1,4-dihydroquinoline-3-carboxylate (II) in the presence of Et₃N. A benzo-homolog of I, namely tetrahydroquino[7,8-b]benzothiazepine-3-carboxylate, is analogously prepared via the reaction of 2-mercaptobenzoate with II, followed by reduction of the resulting 7-[(2-carboxyphenyl)thio]-8-nitro product into the corresponding 8-amino derivative, and subsequent lactamization.

Molecules published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Computed Properties of 924-99-2.

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

Al-Sinjilawi, Hadeel T. published the artcileSynthesis and antibacterial activity of some novel 4-oxopyrido[2,3-a]phenothiazines, SDS of cas: 924-99-2, the publication is Archiv der Pharmazie (Weinheim, Germany) (2014), 347(11), 861-872, database is CAplus and MEDLINE.

A series of substituted 4-oxopyrido[2,3-a]phenothiazine-3-carboxylic acids I [R = H ; X = H, CH₃, OCH₃, Cl] was prepared via cyclization of 4-oxoquinoline-3-carboxylates II, followed by hydrolysis of the resultant esters I [R = C₂H₅]. Synthesized carboxylic acids I [R = H] were evaluated for their antibacterial activity. Among the tested carboxylic acids, I [R = H ; X = H] was most active against representative Gram-pos. and Gram-neg. bacterial strains and these compounds were also active against Methicillin-resistant Staphylococcus aureus (MRSA) with very low toxicity to the normal cells. Virtual screening using ligand-protein docking modeling predicted that the compounds I [R = H] were potential inhibitors of the topoisomerase IV enzyme and that hydrophobic interactions and hydrogen bonds were the major mol. interactions between these compounds and the residues of the active site of topoisomerase IV.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, SDS of cas: 924-99-2.

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

Al-Trawneh, Salah A. published the artcileA new efficient route to 7-aryl-6-fluoro-8-nitroquinolones as potent antibacterial agents, Product Details of C7H13NO2, the publication is European Journal of Medicinal Chemistry (2014), 364-367, database is CAplus and MEDLINE.

A series of 7-aryl-6-fluoro-8-nitroquinolones were synthesized through a novel, simple and clean synthetic procedure, through a Suzuki-Miyaura reaction. The target compounds were evaluated in vitro for their antimicrobial properties against bacterial and fungal strains. All of them showed antibacterial activity higher than the activity of ciprofloxacin, both towards Gram pos. Bacillus subtilis and Staphylococcus aureus, and Gram neg. Haemophilus influenzae strains. Compound 1-Cyclopropyl-6-fluoro-7-(4-methoxy-3,5-dimethylphenyl)8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, containing the trisubstituted 7-aryl moiety, emerged as the most active quinolone derivative with MIC values ranging from 0.00007 μg/mL to 0.015 μg/mL.

European Journal of Medicinal Chemistry published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H13NO2, Product Details of C7H13NO2.

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

Long, Madeline F. published the artcileDiscovery of a novel 2,4-dimethylquinoline-6-carboxamide M₄ positive allosteric modulator (PAM) chemotype via scaffold hopping, Recommanded Product: Ethyl 2-mercaptopropanoate, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(22), 4999-5001, database is CAplus and MEDLINE.

This Letter details our efforts to replace the 3-amino moiety, an essential pharmacophore for M₄ PAM activity in most M₄ PAMs to date, within the thieno[2,3-b]pyridine core, as the β-amino carboxamide motif has been shown to engender poor solubility, varying degrees of P-gp efflux and represents a structural alert. A scaffold hopping exercise identified a novel 2,4-dimethylquinoline carboxamide core that provided M₄ PAM activity and good CNS penetration without an amino moiety. In addition, MacMillan photoredox catalysis chem. was essential for construction of the 2,4-dimethylquinoline core.

Bioorganic & Medicinal Chemistry Letters published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, Recommanded Product: Ethyl 2-mercaptopropanoate.

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

MacPhee, John A. published the artcileSteric limits to ester alkylation; synthesis of highly hindered esters via hexamethylphosphoramide-favored enolization, SDS of cas: 5340-78-3, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1977), 694-6, database is CAplus.

The steric limits to alkylation of carboxylic esters by alkyl iodides with LiN(CHMe2)2 as base in the presence of (Me2N)3PO were studied using a modification of R. H. Schlessinger et al. (1973) and the influence of (Me2N)3PO inpromoting ester enolization, as opposed to its influence on the alkylation step, was examined The formation of α,α-disubstituted from α-monosubstituted esters takes place in high yield and is only slightly influenced by the nature of the alkylating agent, whereas the formation of α,α,α-trisubstituted from α,α-disubstituted esters is sensitive to the steric nature of the ester to be alkylated. Thus in the synthesis of trisubstituted from monosubstituted esters the order of introduction of alkyl groups is critical. The failure of esters to react is interpreted by an inability to undergo enolization.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, SDS of cas: 5340-78-3.

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

Lion, Claude published the artcileSynthesis of hindered acid chlorides. Study of their condensation with Grignard reagents in the presence of copper salts. Preparation of highly branched ketones, Recommanded Product: Ethyltert-butylacetate, the publication is Journal of Chemical Research, Synopses (1978), 46, database is CAplus.

Sequential treatment of RCH₂CO₂R¹ (I; R = iso-Pr, R¹ = H) with R²X (R² = Me, Et, X = halide), SOCl₂, and EtOH gave 97-8% RCHR²CO₂Et (II). Similar alkylation of I (R = Me₃C, R¹ = Et) gave 92-6% II (R = Me₃C, R² = Me, Et). Further alkylation of the esters II (R = iso-Pr, Me₃C, R² = Me, Et) with R³X (R³ = iso-Pr, Et, X = halide) gave 32-81% RCR²R³CO₂Et, which on saponification gave 78-91% RCR²R³CO₂H (III). Treatment of III (R = iso-Pr, Me₃C, R² = Me, Et, R³ = iso-Pr; R = Me₃C, R² = R³ = Et) with SOCl₂ gave the corresponding acid chlorides which reacted with R⁴MgX (R⁴ = Me, X = I; R = neopentyl, Me₃C, X = Cl) in presence of CuCl to give 39-93% RCR²R³COR⁴.

Journal of Chemical Research, Synopses published new progress about 5340-78-3. 5340-78-3 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is Ethyltert-butylacetate, and the molecular formula is C8H16O2, Recommanded Product: Ethyltert-butylacetate.

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

Rasgele, Pinar Goc published the artcileChemical Compositions and Antimutagenic Effects of Ethanolic Extracts of Stachys thirkei and Stachys Annua subsp. Annua Using the Ames Assay, COA of Formula: C5H10O2S, the publication is Pharmaceutical Chemistry Journal (2021), 54(12), 1255-1262, database is CAplus.

In this study, antimutagenic effects of ethanolic extracts of Stachys thirkei and Stachys annua subsp. annua belonging to Lamiaceae family that grow in Duzce of Turkey were investigated on Salmonella typhimurium TA98 and TA100 strains without metabolic activation using Salmonella/microsome test system. Three different concentrations (0.025, 0.05 and 0.1 mg/plate) of the ethanolic extracts of S. thirkei and S. annua subsp. were used as active materials in which the major components were 2-ethylhexanol (30.012%) and 2-beta-pinene (26.40%), resp. The highest concentration (0.1 mg/plate) of S. thirkei had a moderate antimutagenic effect on the Salmonella typhimurium TA98 strain with a 26.79% inhibition rate. It was also established that the extract of S. thirkei at highest concentration (0.1 mg/plate) exhibited strong antimutagenic effect (with 44.03% maximum inhibition) on TA100 strain. Furthermore, it was found that 0.05 mg/plate ethanolic extract showed moderate antimutagenic activity with 25.55% inhibition rate. The highest concentration (0.1 mg/plate) of ethanolic extract of S. annua subsp. showed moderate antimutagenic activity on both Salmonella typhimurium TA98 and TA100 strains with inhibition rates of 20.39 and 22.13%, resp. No antimutagenic activity on Salmonella typhimurium TA98 and TA100 strains was observed at the lowest doses of both plant species. As a result, it is concluded that S. thirkei and annua subsp. have antimutagenic activity and further studies may be recommended in terms of different parameters.

Pharmaceutical Chemistry Journal published new progress about 19788-49-9. 19788-49-9 belongs to esters-buliding-blocks, auxiliary class Thiol,Aliphatic hydrocarbon chain,Ester, name is Ethyl 2-mercaptopropanoate, and the molecular formula is C5H10O2S, COA of Formula: C5H10O2S.

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

Garra, Patxi published the artcilePeroxide-Free and Amine-Free Redox Free Radical Polymerization: Metal Acetylacetonates/Stable Carbonyl Compounds for Highly Efficient Synthesis of Composites, Product Details of C6H8O3, the publication is Macromolecules (Washington, DC, United States) (2018), 51(16), 6395-6404, database is CAplus.

New peroxide-free, amine-free, and phosphine-free redox free radical polymerization (RFRP) initiating systems comprising remarkably stable (i) metal acetylacetonates (Mn(acac)₃, Cu(acac)₂) and (ii) carbonyl compounds bearing labile hydrogen in the α-position are presented for polymerization initiation under mild conditions (under air, at room temperature, nonpurified monomers). The systems proposed in this work are competitive or even outranked the well-known peroxide-based RFRP reference in several criteria: (i) toxicity, (ii) stability, (iii) surface curing, (iv) overall double-bond conversions, and (v) workability of the RFRP mixture (longer gel times are now possible). Radical initiating reactions are studied using many complementary exptl./theor. techniques: optical pyrometry, thermal imaging, Raman confocal microscopy, ESR (ESR), ESR spin trapping (ESR-ST), high-resolution electrospray ionization mass spectrometry (HR-ESI-MS), d. functional theory (DFT), simulations of bond dissociation energies (BDE), reaction enthalpies, and DFT simulations of seven unknown ESR-ST adducts. A full consistent picture of the chem. mechanisms involved in these new redox systems is provided.

Macromolecules (Washington, DC, United States) published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Product Details of C6H8O3.

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