Tag: M.W=100-150

Forlani, Luciano published the artcileMechanism of the formation of 1,2,4-thiadiazoles by condensation of aromatic thioamides and of N-substituted thioureas, Application of 1,1-Dimethylthiourea, the publication is Journal of Heterocyclic Chemistry (2000), 37(1), 63-69, database is CAplus.

The condensation reaction of thiobenzamide (as well as thionicotinamide and isothionicotinamide) in the presence of DMSO and of an acid affords 3,5-diphenyl-1,2,4-thiadiazole. Under the same exptl. conditions, N-substituted thioureas are also condensed to 1,2,4-thiadiazole derivatives; their structure is ascertained by spectroscopic properties and by X-ray diffraction. Some information on the mechanism of thiadiazole formation from both starting classes of compounds, thiobenzamides and N-substituted thiourea, is collected and discussed.

Journal of Heterocyclic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Application of 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xu, Shuran published the artcileIridium-Catalyzed Formal [4+1] Annulation of Benzamides and Cyclopropanols to Afford Isoindolin-1-one Derivatives via C-H Activation, Quality Control of 118-90-1, the publication is Synthesis (2022), 54(13), 3015-3024, database is CAplus.

An synthesis of 3-(2-oxo-2-phenylethyl)isoindolin-1-ones I [R¹ = H, 5-OMe, 7-Me, etc.; R² = Ph, 2-MeC₆H₄, 4-FC₆H₄, etc.] via iridium-catalyzed reaction protocol was developed to achieve the oxidative C-H/N-H annulation of benzamides with cyclopropanols as C1 synthon. Structurally diverse isoindolin-1-ones were furnished via sequential C-H/C-C cleavage and C-C/C-N bond formation.

Synthesis published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C6H12O2, Quality Control of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ahmed, Shamshad published the artcilePurines, pyrimidines, and imidazoles. Part XLIV. Syntheses of some dihydro-1,3-oxazine derivatives and related substituted uracils, COA of Formula: C3H8N2S, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1976), 1969-75, database is CAplus and MEDLINE.

The oxazinedione I (R = Me, R1 = R2 = H, X = O) (II) was prepared from MeCOCH2CO2Et by reaction with CO(NHR3)2 (R3 = Me, Et) in AcOH-Ac2O, or by heating with H2NCO2Et in the presence or absence of solvent. II was also prepared by heating MeCOCH2CONHR3 (III; R3 = CO2Et), or by heating III (R3 = CONMe2) with AcOH-Ac2O or H2SO4; its structure was confirmed by 1H and 13C NMR spectroscopy. Similar treatment of various ¦Â-oxo esters, including C-methyl and C-benzyl derivatives, with H2NCO2Et and with CO(NHMe)2 gave 6-aryl- and 6-alkyloxazinediones and 5,6-dialkyloxazinediones. E.g. 4-FC6H4COCH2CO2Et with CO(NHMe)2 in AcOH-Ac2O at reflux for 4 hr gave I (R = 4-FC6H4, R1 = R2 = H, X = O) whereas similar treatment of H2NCO2Et with MeCOCHMeCO2Et gave I (R = R1 = Me, R2 = H, X = O). Treatment of the oxazinediones I (X = O) with ammonia and with primary amines gave substituted uracils, whereas with secondary amines, acylated ureas were obtained. E.g. II with NH3, MeNH2, and NH2OH gave the corresponding substituted uracils I (R = Me, R1 = R2 = H, X = NH, NMe, NOH, resp.) and with H2NCH2CO2H, the acylated urea I (R = Me, R1 = R2 = H, X = NCH2CO2H) was obtained. II dimerized on heating with NaOH to give (6-hydroxy-4-methyl-2-pyridyl)acetic acid.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, COA of Formula: C3H8N2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Szyfman, Natalie W. published the artcileStudy of copper(II) ternary complexes with phosphocreatine and some polyamines in aqueous solution, Recommanded Product: Propane-1,3-diamine dihydrochloride, the publication is Journal of Inorganic Biochemistry (2011), 105(12), 1712-1719, database is CAplus and MEDLINE.

Ternary systems of Cu(II) with phosphocreatine (PCr) and the polyamines (PAs), ethylenediamine (en), 1,3-diaminopropane (tn), putrescine (Put), spermidine (Spd), and spermine (Spm), were studied in aqueous solution through potentiometry, UV-visible, EPR and Raman spectroscopy. The binary complex CuPCr was also studied by Raman spectroscopy, and the calculation of the min. stabilization energy was done assuming this mol. in aqueous solution The stability constants of the CuPCrPA ternary complexes were determined by potentiometry (T = 25¡ã, I = 0.1 mol L^–?¹, KNO₃). The stability order determined was CuPCrSpm > CuPCrSpd > CuPCren > CuPCrtn > CuPCrPut, the same order of the corresponding binary complexes of Cu(II) with these polyamines. The evaluation of intramol. PA-PCr interactions in protonated and deprotonated species of ternary complexes was carried out using the equation ¦¤log K = log ¦Â_CuPCrPAHq?₊?_p – (log ¦Â_CuPAHq + log ¦Â_CuPCrHp). All of the CuPCrPA ternary complexes have a square planar structure and are bonded to PCr through the N atom of the guanidine group and the O atom of the phosphate group, and to the PAs through two N atoms of the amine groups. The structure of the complex CuPCrSpm is planar with distortion towards tetrahedral. Calculation of the min. stabilization energy for the CuPCr and CuPCrenH complexes confirmed the proposed coordination mode.

Journal of Inorganic Biochemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C15H12O8, Recommanded Product: Propane-1,3-diamine dihydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yao, Yuqin published the artcileDesign, synthesis and pharmacological evaluation of 4-(3-chloro-4-(3-cyclopropylthioureido)-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (WXFL-152): a novel triple angiokinase inhibitor for cancer therapy, Recommanded Product: 1,1,1-Trifluoropropan-2-amine, the publication is Acta Pharmaceutica Sinica B (2020), 10(8), 1453-1475, database is CAplus and MEDLINE.

In this study, the design, synthesis, target identification, mol. mechanism, pharmacodynamics (PD) and pharmacokinetics (PK) research of a novel triple-angiokinase inhibitor WXFL-152 is reported. WXFL-152, identified from a series of 4-oxyquinoline derivatives based on a structure-activity relationship study, inhibited the proliferation of vascular endothelial cells (ECs) and pericytes by blocking the angiokinase signals VEGF/VEGFR2, FGF/FGFRs and PDGF/PDGFRb simultaneously in vitro. Significant anticancer effects of WXFL-152 were confirmed in multiple preclin. tumor xenograft models, including a patient-derived tumor xenograft (PDX) model. Pharmacokinetic studies of WXFL-152 demonstrated high favorable bioavailability with single-dose and continuous multi-dose by oral administration in rats and beagles. In conclusion, WXFL-152, which is currently in phase Ib clin. trials, is a novel and effective triple-angiokinase inhibitor with clear PD and PK in tumor therapy.

Acta Pharmaceutica Sinica B published new progress about 421-49-8. 421-49-8 belongs to catalysis-chemistry, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain, name is 1,1,1-Trifluoropropan-2-amine, and the molecular formula is C18H17N5O3, Recommanded Product: 1,1,1-Trifluoropropan-2-amine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Liao, Wei-Jr published the artcileSite-Selective Acylation of Phenols Mediated by a Thioacid Surrogate through Sodium Thiosulfate Catalysis, Computed Properties of 118-90-1, the publication is Organic Letters (2022), 24(23), 4207-4211, database is CAplus and MEDLINE.

Sodium thiosulfate was used as the sulfur source that reacts with anhydrides to generate acyl-Bunte salts, after which a reaction with phenols was induced. This protocol can be applied for the site-selective acylation of the phenolic hydroxyl group in the presence of other alc. groups. The advantages of this acylation method are operational simplicity, high efficiency, and the use of odorless reagents with low toxicity.

Organic Letters published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, Computed Properties of 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhu, Ya published the artcileStructural basis of FPR2 in recognition of A¦Â₄₂ and neuroprotection by humanin, HPLC of Formula: 63-68-3, the publication is Nature Communications (2022), 13(1), 1775, database is CAplus and MEDLINE.

Formyl peptide receptor 2 (FPR2) has been shown to mediate the cytotoxic effects of the ¦Â amyloid peptide A¦Â42 and serves as a receptor for humanin, a peptide that protects neuronal cells from damage by A¦Â42, implying its involvement in the pathogenesis of Alzheimers disease (AD). However, the interaction pattern between FPR2 and A¦Â42 or humanin remains unknown. Here we report the structures of FPR2 bound to Gi and A¦Â42 or N-formyl humanin (fHN). Combined with functional data, the structures reveal two critical regions that govern recognition and activity of A¦Â42 and fHN, including a polar binding cavity within the receptor helical bundle and a hydrophobic binding groove in the extracellular region. In addition, the structures of FPR2 and FPR1 in complex with different formyl peptides were determined, providing insights into ligand recognition and selectivity of the FPR family. These findings uncover key factors that define the functionality of FPR2 in AD and other inflammatory diseases and would enable drug development.

Nature Communications published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C7H8O3, HPLC of Formula: 63-68-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Xu, Lianbin published the artcileMetabolic profilings of rat INS-1 ¦Â-cells under changing levels of essential amino acids, Application In Synthesis of 63-68-3, the publication is Scientific Data (2022), 9(1), 299, database is CAplus and MEDLINE.

Application of mass spectrometry enables the detection of metabolic differences between organisms with different nutritional settings. Divergence in the metabolic fingerprints of rat pancreatic INS-1 ¦Â-cells were systematically captured with regard to ten individual essential amino acid (EAA) availability. A high-resolution tandem mass spectrometry system coupled to liquid chromatog. produced a horizontal comparison of metabolic profilings of ¦Â-cells with individual EAA elevated to 10 mmol/L by turn or removal individual EAA from the medium one by one. Quality control samples were injected at regular intervals throughout the anal. run to monitor and evaluate the stability of the system. The raw data of samples and reference compounds including study protocols have been deposited in the open metabolomics database MetaboLights to enable efficient reuse of the datasets, such as investigating the difference in metabolic process between diverse EAAs as well as screening and verifying potential metabolites affecting insulin secretion and ¦Â-cell function.

Scientific Data published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H13Cl2N, Application In Synthesis of 63-68-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Coker, Olabisi Oluwabukola published the artcileAltered gut metabolites and microbiota interactions are implicated in colorectal carcinogenesis and can be non-invasive diagnostic biomarkers, Quality Control of 63-68-3, the publication is Microbiome (2022), 10(1), 35, database is CAplus and MEDLINE.

Gut microbiota contributes to colorectal cancer (CRC) pathogenesis through microbes and their metabolites. The importance of microbiota-associated metabolites in colorectal carcinogenesis highlights the need to investigate the gut metabolome along the adenoma-carcinoma sequence to determine their mechanistic implications in the pathogenesis of CRC. To date, how and which microbes and metabolites interactively promote early events of CRC development are still largely unclear. We aim to determine gut microbiota-associated metabolites and their linkage to colorectal carcinogenesis. We performed metabolomics and metagenomics profiling on fecal samples from 386 subjects including 118 CRC patients, 140 colorectal adenomas (CRA) patients and 128 healthy subjects as normal controls (NC). We identified differences in the gut metabolite profiles among NC, CRA and CRC groups by partial least squares-discriminant and principal component analyses. Among the altered metabolites, norvaline and myristic acid showed increasing trends from NC, through CRA, to CRC. CRC-associated metabolites were enriched in branched-chain amino acids, aromatic amino acids and aminoacyl-tRNA biosynthesis pathways. Moreover, metabolites marker signature (twenty metabolites) classified CRC from NC subjects with an area under the curve (AUC) of 0.80, and CRC from CRA with an AUC of 0.79. Integrative analyses of metabolomics and metagenomics profiles demonstrated that the relationships among CRC-associated metabolites and bacteria were altered across CRC stages; certain associations exhibited increasing or decreasing strengths while some were reversed from neg. to pos. or vice versa. Combinations of gut bacteria with the metabolite markers improved their diagnostic performances; CRC vs NC, AUC: 0.94; CRC vs CRA, AUC 0.92; and CRA vs NC, AUC: 0.86, indicating a potential for early diagnosis of colorectal neoplasia. This study underscores potential early-driver metabolites in stages of colorectal tumorigenesis. The Integrated metabolite and microbiome anal. demonstrates that gut metabolites and their association with gut microbiota are perturbed along colorectal carcinogenesis.

Microbiome published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, Quality Control of 63-68-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Pei, Jin-Feng published the artcilePhoP- and GlnR-mediated regulation of metK transcription and its impact upon S-adenosyl-methionine biosynthesis in Saccharopolyspora erythraea, Product Details of C5H11NO2S, the publication is Microbial Cell Factories (2022), 21(1), 120, database is CAplus and MEDLINE.

Erythromycin A (Er A) has a broad antibacterial effect and is a source of erythromycin derivatives Methylation of erythromycin C (Er C), catalyzed by S-adenosyl-methionine (SAM)-dependent O-methyltransferase EryG, is the key final step in Er A biosynthesis. Er A biosynthesis, including EryG production, is regulated by the phosphate response factor PhoP and the nitrogen response factor GlnR. However, the regulatory effect of these proteins upon S-adenosyl-methionine synthetase (MetK) production is unknown. In this study, we used bioinformatics approaches to identify metK (SACE_3900), which codes for S-adenosyl-methionine synthetase (MetK). Electrophoretic mobility shift assays (EMSAs) revealed that PhoP and GlnR directly interact with the promoter of metK, and quant. PCR (RT-qPCR) confirmed that each protein pos. regulated metK transcription. Moreover, intracellular SAM was increased upon overexpression of either phoP or glnR under phosphate or nitrogen limited conditions, resp. Finally, both the production of Er A and the transformation ratio from Er C to Er A increased upon phoP overexpression, but surprisingly, not upon glnR overexpression. Manipulating the phosphate and nitrogen response factors, PhoP and GlnR provides a novel strategy for increasing the yield of SAM and the production of Er A in Saccharopolyspora erythraea .

Microbial Cell Factories published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, Product Details of C5H11NO2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia