Category: amides-buliding-blocks

Umape, Prashant G. published the artcileSynthesis and characterization of novel yellow azo dyes from 2-morpholin-4-yl-1,3-thiazol-4(5H)-one and study of their azo-hydrazone tautomerism, Name: Morpholine-4-carbothioamide, the publication is Dyes and Pigments (2013), 99(2), 291-298, database is CAplus.

Novel yellow azo dyes were synthesized by diazotization of aromatic amines followed by coupling with 2-morpholin-4-yl-1,3-thiazol-4(5H)-one and fully characterized. The geometries of the synthesized dyes for azo and hydrazone tautomeric forms were optimized using B3LYP, CAM-B3LYP and M06 functional and 6-31G(d) and 6-311++G (d,p) basis sets, also their electronic excitation properties were evaluated using d. functional theory. The optimized geometries reveal that the hydrazone for is more stable than the azo form. Photophys. properties of the synthesized dyes were evaluated by UV-Visible spectroscopy and compared with computed vertical excitation obtained from TDDFT. The results clearly illustrate existence of dye 8a, 8b and 8c in hydrazone tautomeric form, while 8d exist in both azo as well as hydrazone form. Thermal stabilities were estimated by using thermo gravimetric anal., and results revels that the synthesized dyes have good thermal stability.

Dyes and Pigments published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C20H19NO4, Name: Morpholine-4-carbothioamide.

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

Hermann, Markus R. published the artcileCovalent inhibitor reactivity prediction by the electrophilicity index-in and out of scope, Recommanded Product: 2-Chloroacetamide, the publication is Journal of Computer-Aided Molecular Design (2021), 35(4), 531-539, database is CAplus and MEDLINE.

Drug discovery is an expensive and time-consuming process. To make this process more efficient quantum chem. methods can be employed. The electrophilicity index is one property that can be calculated by quantum chem. methods, and if calculated correctly gives insight into the reactivity of covalent inhibitors. Herein we present the usage of the electrophilicity index on three common warheads, i.e., acrylamides, 2-chloroacetamides, and propargylamides. We thoroughly examine the properties of the electrophilicity index, show which pitfalls should be avoided, and what the requirements to successfully apply the electrophilicity index are.

Journal of Computer-Aided Molecular Design published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, Recommanded Product: 2-Chloroacetamide.

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

Lunazzi, L. published the artcileConformational analysis in heteroaromatic carbonyl compounds. I. Radical anions of 2,5-thiophenedicarboxaldehyde and related derivatives, Category: amides-buliding-blocks, the publication is Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) (1972), 751-4, database is CAplus.

The room temperature ESR spectrum of the photolytically generated radical anion of 2,5-thio-phenedicarboxaldehyde (I) showed the existence of 2 of the 3 possible rotational isomers. The less stable was the O-cis-trans isomer as seen from the nonequivalence of the thiophene proton splittings. Examination of several derivatives of I, e.g. thieno[3,2-b]-thiophene-2,5-dicarboxaldehyde, with different steric requirements allowed the assignment of the O-cis-cis conformation to the other rotamer.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Category: amides-buliding-blocks.

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

Dhaliwal, Anandika published the artcileEngineering Lineage Potency and Plasticity of Stem Cells using Epigenetic Molecules, SDS of cas: 1011557-82-6, the publication is Scientific Reports (2018), 8(1), 1-13, database is CAplus and MEDLINE.

Stem cells are considered as a multipotent regenerative source for diseased and dysfunctional tissues. Despite the promise of stem cells, the inherent capacity of stem cells to convert to tissue-specific lineages can present a major challenge to the use of stem cells for regenerative medicine. We hypothesized that epigenetic regulating mols. can modulate the stem cell’s developmental program, and thus potentially overcome the limited lineage differentiation that human stem cells exhibit based on the source and processing of stem cells. In this study, we screened a library of 84 small mol. pharmacol. agents indicated in nucleosomal modification and identified a sub-set of specific mols. that influenced osteogenesis in human mesenchymal stem cells (hMSCs) while maintaining cell viability in-vitro. Pre-treatment with five candidate hits, Gemcitabine, Decitabine, I-CBP112, Chidamide, and SIRT1/2 inhibitor IV, maximally enhanced osteogenesis in-vitro. In contrast, five distinct mols., 4-Iodo-SAHA, Scriptaid, AGK2, CI-amidine and Delphidine Chloride maximally inhibited osteogenesis. We then tested the role of these mols. on hMSCs derived from aged human donors and report that small epigenetic mols., namely Gemcitabine and Chidamide, can significantly promote osteogenic differentiation by 5.9- and 2.3-fold, resp.

Scientific Reports published new progress about 1011557-82-6. 1011557-82-6 belongs to amides-buliding-blocks, auxiliary class Epigenetics,Sirtuin, name is 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, and the molecular formula is C25H34N4O2S, SDS of cas: 1011557-82-6.

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

Dhaliwal, Anandika published the artcileEngineering Lineage Potency and Plasticity of Stem Cells using Epigenetic Molecules, Name: N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide, the publication is Scientific Reports (2018), 8(1), 1-13, database is CAplus and MEDLINE.

Stem cells are considered as a multipotent regenerative source for diseased and dysfunctional tissues. Despite the promise of stem cells, the inherent capacity of stem cells to convert to tissue-specific lineages can present a major challenge to the use of stem cells for regenerative medicine. We hypothesized that epigenetic regulating mols. can modulate the stem cell’s developmental program, and thus potentially overcome the limited lineage differentiation that human stem cells exhibit based on the source and processing of stem cells. In this study, we screened a library of 84 small mol. pharmacol. agents indicated in nucleosomal modification and identified a sub-set of specific mols. that influenced osteogenesis in human mesenchymal stem cells (hMSCs) while maintaining cell viability in-vitro. Pre-treatment with five candidate hits, Gemcitabine, Decitabine, I-CBP112, Chidamide, and SIRT1/2 inhibitor IV, maximally enhanced osteogenesis in-vitro. In contrast, five distinct mols., 4-Iodo-SAHA, Scriptaid, AGK2, CI-amidine and Delphidine Chloride maximally inhibited osteogenesis. We then tested the role of these mols. on hMSCs derived from aged human donors and report that small epigenetic mols., namely Gemcitabine and Chidamide, can significantly promote osteogenic differentiation by 5.9- and 2.3-fold, resp.

Scientific Reports published new progress about 380315-80-0. 380315-80-0 belongs to amides-buliding-blocks, auxiliary class Apoptosis,p53, name is N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide, and the molecular formula is C20H23N3O2S, Name: N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide.

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

Bell, Charlotte R. published the artcileChemotherapy-induced COX-2 upregulation by cancer cells defines their inflammatory properties and limits the efficacy of chemoimmunotherapy combinations, Computed Properties of 169590-42-5, the publication is Nature Communications (2022), 13(1), 2063, database is CAplus and MEDLINE.

Cytotoxic therapies, besides directly inducing cancer cell death, can stimulate immune-dependent tumor growth control or paradoxically accelerate tumor progression. The underlying mechanisms dictating these opposing outcomes are poorly defined. Here, we show that cytotoxic therapy acutely upregulates cyclooxygenase (COX)-2 expression and prostaglandin E2 (PGE2) production in cancer cells with pre-existing COX-2 activity. Screening a compound library of 1280 approved drugs, we find that all classes of chemotherapy drugs enhance COX-2 transcription while arresting cancer cell proliferation. Genetic manipulation of COX-2 expression or its gene promoter region uncover how augmented COX-2/PGE2 activity post-treatment profoundly alters the inflammatory properties of chemotherapy-treated cancer cells in vivo. Pharmacol. COX-2 inhibition boosts the efficacy of the combination of chemotherapy and PD-1 blockade. Crucially, in a poorly immunogenic breast cancer model, only the triple therapy unleashes tumor growth control and significantly reduces relapse and spontaneous metastatic spread in an adjuvant setting. Our findings suggest COX-2/PGE2 upregulation by dying cancer cells acts as a major barrier to cytotoxic therapy-driven tumor immunity and uncover a strategy to improve the outcomes of immunotherapy and chemotherapy combinations.

Nature Communications published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C17H14F3N3O2S, Computed Properties of 169590-42-5.

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

Kolodziuk, Robert published the artcilePalladium-catalyzed Suzuki cross-coupling of aryl halides with aryl boronic acids in the presence of glucosamine-based phosphines, Computed Properties of 14294-10-1, the publication is Journal of Organometallic Chemistry (2003), 687(2), 384-391, database is CAplus.

Carbohydrate-substituted phosphines are easily obtained in quite good yields by coupling of protected or non-protected D-glucosamine with the corresponding diphenylphosphino acid. These neutral ligands, in association with palladium acetate, are very active catalysts in the Suzuki cross-coupling reaction. The polyhydroxy phosphines are more active than the peracetylated phosphines. The process tolerates electron-rich as well as electron-poor substituents. Excellent turnovers, up to 97 000 are observed

Journal of Organometallic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Computed Properties of 14294-10-1.

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

Robins, Morris J. published the artcileImproved Syntheses of 5′-S-(2-Aminoethyl)-6-N-(4-nitrobenzyl)-5′-thioadenosine (SAENTA), Analogues, and Fluorescent Probe Conjugates: Analysis of Cell-Surface Human Equilibrative Nucleoside Transporter 1 (hENT1) Levels for Prediction of the Antitumor Efficacy of Gemcitabine, Quality Control of 1869-45-0, the publication is Journal of Medicinal Chemistry (2010), 53(16), 6040-6053, database is CAplus and MEDLINE.

5′-S-(2-Aminoethyl)-6-N-(4-nitrobenzyl)-5′-thioadenosine (SAENTA), 5′-S-(2-acetamidoethyl)-6-N-[(4-substituted)benzyl]-5′-thioadenosine analogs, 5′-S-[2-(6-aminohexanamido)]ethyl-6-N-(4-nitrobenzyl)-5′-thioadenosine (SAHENTA), and related compounds were synthesized by S_NAr displacement of fluoride from 6-fluoropurine intermediates with 4-(substituted)-benzylamines. Conjugation of the pendant amino groups of SAENTA and SAHENTA with fluorescein-5-yl isothiocyanate (FITC) gave fluorescent probes that bound at nanomolar concentrations specifically to human equilibrative nucleoside transporter 1 (hENT1) produced in recombinant form in model expression systems and in native form in cancer cell lines. Transporter binding effects were studied and the ability of the probes to predict the potential antitumor efficacy of 2′-deoxy-2′,2′-difluorocytidine (gemcitabine) was demonstrated.

Journal of Medicinal Chemistry published new progress about 1869-45-0. 1869-45-0 belongs to amides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2,2,2-Trifluoro-N-(2-mercaptoethyl)acetamide, and the molecular formula is C4H6F3NOS, Quality Control of 1869-45-0.

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

Nieland, Thomas J. F. published the artcileDiscovery of chemical inhibitors of the selective transfer of lipids mediated by the HDL receptor SR-BI, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea, the publication is Proceedings of the National Academy of Sciences of the United States of America (2002), 99(24), 15422-15427, database is CAplus and MEDLINE.

The high-d. lipoprotein (HDL) receptor, scavenger receptor, class B, type I (SR-BI), mediates both the selective uptake of lipids, mainly cholesterol esters, from HDL to cells and the efflux of cholesterol from cells to lipoproteins. The mechanism underlying these lipid transfers is distinct from classic receptor-mediated endocytosis, but it remains poorly understood. To investigate SR-BI’s mechanism of action and in vivo function, the authors developed a high-throughput screen to identify small mol. inhibitors of SR-BI-mediated lipid transfer in intact cells. The authors identified five compounds that in the low nanomolar to micromolar range block lipid transport (BLTs), both selective uptake and efflux. The effects of these compounds were highly specific to the SR-BI pathway, because they did not interfere with receptor-mediated endocytosis or with other forms of intracellular vesicular traffic. Surprisingly, all five BLTs enhanced, rather than inhibited, HDL binding by increasing SR-BI’s binding affinity for HDL (decreased dissociation rates). Thus, the BLTs provide strong evidence for a mechanistic coupling between HDL binding and lipid transport and may serve as a starting point for the development of pharmacol. useful modifiers of SR-BI activity and, thus, HDL metabolism

Proceedings of the National Academy of Sciences of the United States of America published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C12H23N3S, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea.

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

Stanke-Labesque, Francoise published the artcileLeukotriene B₄ pathway activation and atherosclerosis in obstructive sleep apnea, Product Details of C12H23N3S, the publication is Journal of Lipid Research (2012), 53(9), 1944-1951, database is CAplus and MEDLINE.

Leukotriene B₄ (LTB₄) production increases in obstructive sleep apnea syndrome (OSA) and is linked to early vascular remodeling, the mechanism of which is unknown. The objective of this study was to to determine the mol. mechanisms of LTB₄ pathway activation in polymorphonuclear cells (PMNs) and early vascular remodeling in OSA and the specific contribution of intermittent hypoxia (IH). PMNs were isolated from 120 OSA patients and 33 healthy subjects and used for measurements of LTB₄ production, determination of mRNA and protein expression levels, or exposed for four cycles of in vitro IH. PMNs derived from OSA patients exhibited increased LTB₄ production, for which apnea-hypopnea index was an independent predictor (P = 0.042). 5-Lipoxygenase-activating protein (FLAP) mRNA and protein increased significantly in PMNs from OSA patients vs. controls and were associated with carotid luminal diameter and intima-media thickness. LTB₄ (10 ng/mL) increased IL-6 (P = 0.006) and MCP-1 (P = 0.002) production in OSA patient monocytes. In vitro exposure of PMNs from controls to IH enhanced FLAP mRNA levels (P = 0.027) and induced a 2.7-fold increase (P = 0.028) in LTB₄ secretion compared with PMNs exposed to normoxia. In conclusion, upregulation of FLAP in PMNs in response to IH may participate in early vascular remodeling in OSA patients, suggesting FLAP as a potential therapeutic target for the cardiovascular morbidity associated with OSA.

Journal of Lipid Research published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C6H5NO, Product Details of C12H23N3S.

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