Tag: M.W=100-150

Said, Mona F. published the artcileSynthesis and computational studies of novel fused pyrimidinones as a promising scaffold with analgesic, anti-inflammatory and COX inhibitory potential, Product Details of C6H8O3, the publication is European Journal of Medicinal Chemistry (2021), 113682, database is CAplus and MEDLINE.

Addressing the global need for the development of safe and potent NSAIDs, new series of oxadiazolo and thiadiazolo fused pyrmidinones were synthesized and initially tested for their analgesic activity. All tested compounds showed promising analgesic activity compared with the reference standard indomethacin. Moreover, anti-inflammatory activity evaluation, ulcerogenic liability, and in vitro COX-1, COX-2 enzyme inhibition assays were also performed for the most active derivatives The methoxyphenyl piperazinyl derivative I showed analgesic activity surpassing indomethacin with protection of 100%, and 83%; resp. Also I showed good anti-inflammatory activity with relatively lower ulcer index compared with other tested compounds, and potent COX-1 and COX-2 inhibitory activity with IC₅₀ = 0.140, 0.007μm, resp., and with a selectivity index of 20.00 which was better than the reference standards and the other tested congeners. Addnl., three compounds revealed moderate selectivity (SI = 3.53, 3.70 and 5.87, resp.). Moreover, in silico physicochem. parameters revealed that the new fused pyrimidinones demonstrated promising pharmacokinetic properties. Furthermore, computational studies in form of 2D-quant. structure-activity relationship (2D-QSAR) and 3D-pharmacophore confirmed the potential analgesic properties of the new target compounds

European Journal of Medicinal Chemistry 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

Goma’a, Hebat-Allah M. published the artcileSynthesis, Biological Evaluation and In Silico Studies of 1,2,4-Triazole and 1,3,4-Thiadiazole Derivatives as Antiherpetic Agents, Related Products of esters-buliding-blocks, the publication is ChemistrySelect (2019), 4(21), 6421-6428, database is CAplus.

Two isosteric series of 1,2,4-triazole and 1,3,4-thiadiazole derivatives were synthesized and evaluated for their antiviral activity against herpes simplex virus type 1, HSV-1, using acyclovir (ACV) as a reference drug. In addition, mol. docking into the active site of HSV-1 thymidine kinase was performed to interpret the data obtained from biol. testing, and all compounds were subjected to an in-silico screening of their physicochem. properties to estimate their drug-likeness and safety. The results revealed that triazolopyrimidine derivative I was able to reduce the viral plaques by 50% at a dose of 80 μM, but interestingly, retained high selectivity compared to ACV (>200 μM vs. 80 μM). The best effective and safe compound in this study, triazolopyrimidine derivative I, was further tested for its combined effects with ACV on the anti-HSV-1 activity in the plaque reduction assay. This compound proved to improve the selectivity of ACV and reduce its ED that produced 100% inhibition of viral plaques. The compound I was suggested to be a promising candidate for further development as an antiherpetic agent. Mol. docking into the active site of HSV-1 thymidine kinase emphasized the superior interaction of the compound I.

ChemistrySelect 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, Related Products of esters-buliding-blocks.

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

Diebold, Martin published the artcileHigh-dimensional immune profiling identifies a biomarker to monitor dimethyl fumarate response in multiple sclerosis, Computed Properties of 624-49-7, the publication is Proceedings of the National Academy of Sciences of the United States of America (2022), 119(31), e2205042119, database is CAplus and MEDLINE.

Di-Me fumarate (DMF) is an immunomodulatory treatment for multiple sclerosis (MS). Despite its wide clin. use, the mechanisms underlying clin. response are not understood. This study aimed to reveal immune markers of therapeutic response to DMF treatment in MS. For this purpose, we prospectively collected peripheral blood mononuclear cells (PBMCs) from a highly characterized cohort of 44 individuals with MS before and at 12 and 48 wk of DMF treatment. Single cells were profiled using high-dimensional mass cytometry. To capture the heterogeneity of different immune subsets, we adopted a bioinformatic multipanel approach that allowed cell population-cluster assignment of more than 50 different parameters, including lineage and activation markers as well as chemokine receptors and cytokines. Data were further analyzed in a semiunbiased fashion implementing a supervised representation learning approach to capture subtle longitudinal immune changes characteristic for therapy response. With this approach, we identified a population of memory T helper cells expressing high levels of neuroinflammatory cytokines (granulocyte-macrophage colony-stimulating factor [GM-CSF], interferon γ [IFNγ]) as well as CXCR3, whose abundance correlated with treatment response. Using spectral flow cytometry, we confirmed these findings in a second cohort of patients. Serum neurofilament light-chain levels confirmed the correlation of this immune cell signature with axonal damage. The identified cell population is expanded in peripheral blood under natalizumab treatment, substantiating a specific role in treatment response. We propose that depletion of GM-CSF-, IFNγ-, and CXCR3-expressing T helper cells is the main mechanism of action of DMF and allows monitoring of treatment response.

Proceedings of the National Academy of Sciences of the United States of America 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 C6H8O4, Computed Properties of 624-49-7.

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

Diebold, Martin published the artcileImmunological Predictors of Dimethyl Fumarate-Induced Lymphopenia, Product Details of C6H8O4, the publication is Annals of Neurology (2022), 91(5), 676-681, database is CAplus and MEDLINE.

Treatment with di-Me fumarate (DMF) leads to lymphopenia and infectious complications in a subset of patients with multiple sclerosis (MS). Here, we aimed to reveal immune markers of DMF-associated lymphopenia. This prospective observational study longitudinally assessed 31 individuals with MS by single-cell mass cytometry before and after 12 and 48 wk of DMF therapy. Employing a neural network-based representation learning approach, we identified a CCR4-expressing T helper cell population neg. associated with relevant lymphopenia. CCR4-expressing T helper cells represent a candidate prognostic biomarker for the development of relevant lymphopenia in patients undergoing DMF treatment.

Annals of Neurology 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 C6H8O4, Product Details of C6H8O4.

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

Brown, Herbert C. published the artcileDicyclohexyliodoborane/triethylamine – a new reagent which achieves the facile enolboration of esters and tertiary amides, Application In Synthesis of 5340-78-3, the publication is Tetrahedron Letters (1992), 33(24), 3421-4, database is CAplus.

A smooth, rapid, quant. enolboration of esters and tertiary amides was achieved for the first time with dicyclohexyliodoborane, Chx₂BI, a new reagent, in the presence of triethylamine. E.g., treating EtCO₂Et with Chx₂BI and Et₃N in CCl₄ gave 96% (Z)-MeCH:C(OEt)OBChx₂, whereas EtCONMe₂ gave 96% (E)-MeCH:C(NMe₂)OBChx₂.

Tetrahedron Letters 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, Application In Synthesis of 5340-78-3.

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

Zhi, Ying published the artcile4-Quinolone-3-carboxylic acids as cell-permeable inhibitors of protein tyrosine phosphatase 1B, Name: Ethyl 3-(dimethylamino)acrylate, the publication is Bioorganic & Medicinal Chemistry (2014), 22(14), 3670-3683, database is CAplus and MEDLINE.

Protein tyrosine phosphatase 1B is a neg. regulator in the insulin and leptin signaling pathways, and has emerged as an attractive target for the treatment of type 2 diabetes and obesity. However, the essential pharmacophore of charged phosphotyrosine or its mimetic confer low selectivity and poor cell permeability. Starting from the previously reported aryl diketoacid-based PTP1B inhibitors, a drug-like scaffold of 4-quinolone-3-carboxylic acid was introduced for the first time as a novel surrogate of phosphotyrosine. An optimal combination of hydrophobic groups installed at C-6, N-1 and C-3 positions of the quinolone motif afforded potent PTP1B inhibitors with low micromolar IC₅₀ values. These 4-quinolone-3-carboxylate based PTP1B inhibitors displayed a 2-10-fold selectivity over a panel of PTP’s. Furthermore, the bidentate inhibitors of 4-quinolone-3-carboxylic acids conjugated with aryl diketoacid or salicylic acid were cell permeable and enhanced insulin signaling in CHO/hIR cells. The kinetic studies and mol. modeling suggest that the 4-quinolone-3-carboxylates act as competitive inhibitors by binding to the PTP1B active site in the WPD loop closed conformation. Taken together, the study shows that the 4-quinolone-3-carboxylic acid derivatives exhibit improved pharmacol. properties over previously described PTB1B inhibitors and warrant further preclin. studies.

Bioorganic & 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 C13H10N2S, Name: Ethyl 3-(dimethylamino)acrylate.

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

Guo, Yongbiao published the artcileChiral Spirocyclic Phosphoric Acid-Catalyzed Synthesis of 4-Alkyl-3,4-dihydropyrimidin-2(1H)-one Derivatives by Asymmetric Biginelli Reactions, Recommanded Product: Methyl 3-oxovalerate, the publication is Asian Journal of Organic Chemistry (2020), 9(4), 626-630, database is CAplus.

A chiral spirocyclic phosphoric acid-catalyzed asym. Biginelli reaction based on aliphatic aldehydes was realized for the synthesis of biol. important and synthetically useful 4-alkyl-3,4-dihydropyrimidin-2-(1H)-one (4-alkyl-DHPM) skeletons I [R = Et, n-Bu, n-heptyl, etc.; R¹ = Me, Et, t-Bu, etc.; R² = Me, Et] in good yield and with high levels of enantioinduction. The utility of this transformation was further demonstrated by direct thionation and C-C/C-N bond construction to provide a series of 4-alkyl-DHPMs derivatives I without any loss of optical activity, providing streamlined access to the formal synthesis of Batzelladine A.

Asian Journal of Organic Chemistry published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C6H10O3, Recommanded Product: Methyl 3-oxovalerate.

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

Cecchetti, Violetta published the artcilePotent 6-defluoro-8-methylquinolones as new lead compounds in antibacterial chemotherapy, Application of Ethyl 3-(dimethylamino)acrylate, the publication is Journal of Medicinal Chemistry (1996), 39(25), 4952-4957, database is CAplus and MEDLINE.

In a furtherance of our SAR study on the C-6 position of quinolone antibacterials, a series of 6-defluoro-8-methylquinolones were synthesized and evaluated for their in vitro antimicrobial activity. As a result of this study, compounds with strong activity against Gram-pos. bacteria, including ciprofloxacin-resistant and methicillin-resistant Staphylococcus aureus, were identified. The best Gram-pos. antibacterial activity was exhibited by piperidinyl derivative which was 17 times more potent than ciprofloxacin and displayed extremely high activity against Streptococcus pneumoniae with an MIC value of ≤0.016 μg/mL. Thus, we have shown that substituent combinations in the quinolone ring, excluding the C-6 fluorine atom, might produce powerful antibacterial agents.

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, Application of Ethyl 3-(dimethylamino)acrylate.

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

Cecchetti, Violetta published the artcileStudies on 6-aminoquinolones: Synthesis and antibacterial evaluation of 6-amino-8-methylquinolones., Product Details of C7H13NO2, the publication is Journal of Medicinal Chemistry (1996), 39(2), 436-45, database is CAplus and MEDLINE.

Novel 6-amino-8-methylquinolone derivatives have been synthesized with enhanced antibacterial activity, particularly against Gram-pos. bacteria. The 1,2,3,4-tetrahydroisoquinolinyl derivative (I) showed the highest antibacterial activity with MIC values on Gram-pos. bacteria lower than those of ciprofloxacin, especially against Staphylococcus aureus strains, including those strains which are methicillin- and ciprofloxacin-resistant.

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

Pisella, Guillaume published the artcileCopper-Catalyzed Oxyvinylation of Diazo Compounds, Synthetic Route of 517-23-7, the publication is Organic Letters (2020), 22(10), 3884-3889, database is CAplus and MEDLINE.

A copper(I)-catalyzed vinylation of diazo compounds with vinylbenziodoxolone reagents (VBX) as partners was reported. The transformation tolerated diverse functionalities on both reagents delivering polyfunctionalized vinylated products. The strategy was successfully extended to a three-component/intermol. version with alcs. The obtained products contain synthetically versatile functional groups, such as an aryl iodide, an ester, and an allylic leaving group, enabling further modification.

Organic Letters 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, Synthetic Route of 517-23-7.

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