Tag: M.W=150-200

Lowicki, Daniel published the artcileStereoselective protonation of 2-methyl-1-tetralone lithium enolate catalyzed by salan-type diamines, Related Products of ethers-buliding-blocks, the main research area is methyl tetralone preparation enantioselective DFT; methyltetralone lithium enolate protonation chiral amine catalyst.

An efficient enantioselective protonation of 2-methyl-1-tetralone lithium enolate catalyzed by salan-type diamines I (Y = H, Me; X = H, OH, OMe; Z = t-Bu, H, NO2, Br, OMe; R = H, t-Bu, triphenylmethyl) and IInod t-bu was reported. A broad series of salan-type catalysts I and II was synthesized, including several previously unknown, and subsequently tested in the title reaction. For the first time, a chiral amine I and II used as organocatalyst has shown better results than as stoichiometric protonating agent. Application of only 10 mol% of salan I and II allows to obtain the (S)-2-methyl-1-tetralone with high yield and enantiomeric excess up to 75%. The DFT calculations of the structure of the catalyst and its complex with lithium enolate were conducted, which makes it possible to propose a likely reaction mechanism.

Tetrahedron published new progress about Cyclohexanes Role: CAT (Catalyst Use), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), USES (Uses), RACT (Reactant or Reagent), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Related Products of ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Soltani Rad, Mohammad Navid published the artcileDesign and Synthesis of Some Novel Oxiconazole-Like Carboacyclic Nucleoside Analogues, as Potential Chemotherapeutic Agents, Recommanded Product: (2-Chloroethoxy)benzene, the main research area is carboacyclic nucleoside oxiconazole stereoselective preparation; nucleobase alkyl halide nucleophilic substitution oximation alkylation; formation heat calculation PM3 stereoselectivity.

The synthesis of some novel carboacyclic nucleosides containing oxiconazole-like scaffolds, e.g. I, is described. In this series of carboacyclic nucleosides, pyrimidine as well as purine and other imidazole derivatives were employed as an imidazole successor in oxiconazole. These compounds could be prepared in good yields by using two different strategies. The first strategy uses N-coupling of nucleobases with 2-bromoacetophenones, followed by subsequent oximation and finally O-alkylation with diverse alkylating sources. The second strategy uses N-coupling of 2-bromoacetophenone oximes with nucleobases, followed by O-alkylation. For the rational interpretation of the dominant formation of (E)-oxime ethers rather than (Z)-oxime isomers, PM3 semiempirical quantum-mechanic calculations were discussed and the calculations indicated a lower heat of formation for (E)-isomers.

Helvetica Chimica Acta published new progress about Alkylation. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Recommanded Product: (2-Chloroethoxy)benzene.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Wang, Lin published the artcileEstablishment of a lung cancer discriminative model based on an optimized support vector machine algorithm and study of key targets of wogonin in lung cancer, Synthetic Route of 121-00-6, the main research area is lung cancer wogonin support vector machine algorithm; SVM; key targets; lung cancer; network pharmacology; serum index; wogonin.

An optimized support vector machine model was used to construct a lung cancer diagnosis model based on serol. indicators, and a mol. regulation model of Wogonin, a component of Scutellaria baicalensis, was established. Serol. indexes of patients were collected, the grid search method was used to identify the optimal penalty coefficient C and parameter g of the support vector machine model, and the benign and malignant auxiliary diagnosis model of isolated pulmonary nodules based on serol. indicators was established. The regulatory network and key targets of Wogonin in lung cancer were analyzed by network pharmacol., and key targets were detected by western blot. The relationship between serol. susceptibility genes and key targets of Wogonin was established, and the signaling pathway of Wogonin regulating lung cancer was constructed. After support vector machine parameter optimization (C = 90.597, g = 32), the accuracy of the model was 90.8333%, with nine false positives and two false neg. cases. Ontol. functional anal. of 67 common genes between Wogonin targets and lung cancer-related genes showed that the targets were associated with biol. processes involved in peptidye-serine modification and regulation of protein kinase B signaling; cell components in the membrane raft and chromosomal region; and mol. function in protein serine/threonine kinase activity and heme binding. Kyoto Encyclopedia of Genes and Genomes anal. showed that the regulation pathways involved the PI3K-Akt signaling pathway, ERBB signaling pathway, and EGFR tyrosine kinase inhibitor resistance. In vitro analyses using lung cancer cells showed that Wogonin led to significantly increased levels of cleaved caspase-3 and Bad and significantly decreased Bcl-2 expression in a concentration-dependent manner. ErbB4 expression also significantly decreased in lung cancer cells after treatment with Wogonin. A regulatory network of Wogonin regulating lung cancer cell apoptosis was constructed, including the participation of serol. susceptibility genes. There is a certain regulatory effect between the serol. indexes that can be used in the diagnosis of lung cancer and the key targets of Chinese herbal medicine treatment of lung cancer, which provides a new idea for the diagnosis, treatment and prognosis of clin. lung cancer.

Frontiers in Pharmacology published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (YAP). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Synthetic Route of 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Doerr, Maurice published the artcileSynthesis of Highly Functionalized N,N-Diarylamides by an Anodic C,N-Coupling Reaction, Name: 4-Hydroxy-3-tert-butylanisole, the main research area is diaryl amide preparation; benzoxazole tertiary butyl methoxyphenol anodic dehydrogenative coupling; C,N-coupling; C−H activation; electrochemistry; oxidation; sustainable chemistry.

An innovative, sustainable and straightforward protocol was reported for the synthesis of N,N-diarylamides I [R1 = H, 3-Me, 4-Me, 5-Me, 3-Br, 4-Cl; R2 = H, Me, Et] equipped with nonprotected hydroxyl groups by using electrosynthesis. The concept allowed the application of various substrates furnishing diarylamides with yields up to 57 % within a single and direct electrolytic protocol. The method was thereby easy to conduct in an undivided cell with constant current conditions offering a versatile and short-cut alternative to conventional pathways.

Chemistry – A European Journal published new progress about Benzoxazoles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Name: 4-Hydroxy-3-tert-butylanisole.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Blackburn, Karen L. published the artcileAn interim internal Threshold of Toxicologic Concern (iTTC) for chemicals in consumer products, with support from an automated assessment of ToxCast dose response data, Application In Synthesis of 121-00-6, the main research area is chem consumer product ToxCast dose response assessment; High throughput screening data analysis; Risk assessment; SAR; Structure activity relationships; TTC; Threshold of toxicological concern; ToxCast.

Addnl. non-animal methods are urgently needed to meet regulatory and animal welfare goals. TTC is a broadly used risk assessment tool. TTC based on external dose has limited utility for multi-route exposure and some types of structure activity relationship assessments. An internal TTC (iTTC), where thresholds are based on blood concentration, would extend the applicability of TTC. While work is on-going to develop robust iTTC thresholds, we propose an interim conservative iTTC. Specifically, an interim iTTC of 1μM, supported by the published experience of the pharmaceutical industry, a literature review of non-drug chem./receptor interactions, and anal. of ToxCast data. ToxCast data were used to explore activity vs. the 1μM interim iTTC and recommendations for the anal. and interpretation of HTS data. Test concentration-based points of departure were classified to identify quality of fit to the Hill Model. We identified, for exclusion from the approach, estrogen receptor and androgen receptor targets as potent chem./receptor interactions potentially associated with low dose exposure to non-pharmaceutical active ingredients in addition to the original TTC exclusions. With these exclusions, we conclude that a 1μM plasma concentration is unlikely to be associated with significant biol. effects from chems. not intentionally designed for biol. activity.

Regulatory Toxicology and Pharmacology published new progress about Androgen receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application In Synthesis of 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Pais, Adi published the artcileIn Vivo Magnetic Resonance Imaging of the Estrogen Receptor in an Orthotopic Model of Human Breast Cancer, Name: (2-Chloroethoxy)benzene, the main research area is magnetic resonance imaging contrast agent estrogen receptor breast cancer.

Histol. overexpression of the estrogen receptor α (ER) is a well-established prognostic marker in breast cancer. Noninvasive imaging techniques that could detect ER overexpression would be useful in a variety of settings where patients’ biopsies are problematic to obtain. This study focused on developing, by in vivo MRI, strategies to measure the level of ER expression in an orthotopic mouse model of human breast cancer. Specifically, novel ER-targeted contrast agents based on pyridine-tetra-acetate-Gd(III) chelate (PTA-Gd) conjugated to 17β-estradiol (EPTA-Gd) or to tamoxifen (TPTA-Gd) were examined in ER-pos. or ER-neg. tumors. Detection of specific interactions of EPTA-Gd with ER were documented that could differentiate ER-pos. and ER-neg. tumors. In vivo competition experiments confirmed that the enhanced detection capability of EPTA-Gd was based specifically on ER targeting. In contrast, PTA-Gd acted as an extracellular probe that enhanced ER detection similarly in either tumor type, confirming a similar vascular perfusion efficiency in ER-pos. and ER-neg. tumors in the model. Finally, TPTA-Gd accumulated selectively in muscle and could not preferentially identify ER-pos. tumors. Together, these results define a novel MRI probe that can permit selective noninvasive imaging of ER-pos. tumors in vivo. Cancer Res; 71(24); 7387-97.

Cancer Research published new progress about Estrogen receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Name: (2-Chloroethoxy)benzene.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Casagrande, Marcella published the artcileDirect Analysis of Synthetic Phenolic Antioxidants, and Fatty Acid Methyl Ester Stability in Biodiesel by Liquid Chromatography and High-Resolution Mass Spectrometry, SDS of cas: 121-00-6, the main research area is phenolic antioxidant fatty acid methyl ester biodiesel HPLC MS.

Methods to identify and quantify synthetic phenolic antioxidants, 3-tert-butyl-4-hydroxyanisole (BHA), butylated hydroxytoluene (BHT), tert-butyl-hydroquinone (TBHQ) and Pr gallate (PG), in biodiesel samples by using reversed-phase liquid chromatog. (LC) were developed. Using a C18 phase with LC and UV detection showed coelution between BHT and fatty acid Me esters (FAME) in the biodiesel sample, whereas an alkyl Ph modified stationary phase resulted in good separation of all antioxidants from the fatty acid matrix, and allowed more accurate quantification of antioxidants in biodiesel samples. The latter column was applied for further study. Calibration curves for the 4 antioxidants were constructed, and the limit of detection estimated Good calibration linearity was observed over the studied concentration range of 10-80 ppm, with correlation coefficients (R2) ranging from 0.9986 to 0.9995 for all antioxidants. LOD values of 0.010, 0.015, 0.0125 and 0.030 ppm, and recoveries of 70 ± 2, 85 ± 2, 103 ± 2 and 92 ± 4% for PG, TBHQ, BHA and BHT at injected concentrations of 35 ppm were established, resp. The method was applied for quantification of antioxidants in biodiesel without addition of spiked antioxidants, then for biodiesel spiked with the 4 antioxidants, and a com. source of biodiesel with BHT addition Identification of FAME in the biodiesel samples was performed by using an instrument capable of ultra-high performance LC hyphenated with an electrospray Orbitrap mass spectrometer (UHPLC-ESI-OrbitrapMS). The stability of antioxidants and FAME in different samples was then studied. Total FAME C18 content decreased to 52 ± 4% weight/weight after 1 wk, and 29 ± 6% weight/weight after 8 wk in the test sample without antioxidants; FAME content and antioxidant composition were stable in the samples with antioxidants added, even after 8 wk exposure to sunlight.

Chromatographia published new progress about Fatty acids, Me esters Role: ANT (Analyte), PRP (Properties), ANST (Analytical Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, SDS of cas: 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Pittala, Valeria published the artcileSynthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for the α1-adrenoceptors, SDS of cas: 622-86-6, the main research area is synthesis pyrrolo pyrimidine dione derivative alpha 1 adrenoceptor.

Three different series of 1H-pyrrolopyrimidine-2,4-dione derivatives were designed and synthesized as ligands for the α1-adrenergic receptors (α1-ARs). A microwave-assisted protocol was developed in order to improve purity and yields of some final products. The majority of the synthesized compounds, tested in binding assays, displayed α1-AR affinities in the nanomolar range. Highest affinity values were found in derivatives 10b and 10c (K i = 1.4 nM for both) whereas compound 10e was endowed with the best profile in term of α1-AR affinity (K i = 2.71 nM) coupled with high selectivity towards 5-HT1A receptors (K i >10,000). Mol. docking studies were performed on human α1-ARs and human 5-HT1A receptors in order to rationalize the observed exptl. affinity and selectivity; these computational studies helped to clarify mol. requirements for the design of high-selective α1-adrenergic ligands.

Bioorganic & Medicinal Chemistry published new progress about 5-HT1A receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, SDS of cas: 622-86-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Urrego, Maria Isabel Gonzalez published the artcileDietary protein sources and their effects on faecal odour and the composition of volatile organic compounds in faeces of French Bulldogs, Name: 4-Hydroxy-3-tert-butylanisole, the main research area is feces odor dietary protein volatile organic compound; canine; indole; malodorous compounds; phenol.

The strong odor of faeces and excessive production of gases in some dog breeds have long been a concern of owners. The pet food industry uses nutritional alternatives, such as high-quality ingredients and additives, to improve the odor of faeces. However, there are still some dog breeds, such as the French Bulldog, that present this problem due to the presence into the large intestine of indigested protein. Therefore, a deeper understanding of the volatile compounds that influence the odor of dog faeces is important. This study aimed to identify changes of faecal odor compounds that are most prevalent in French Bulldogs based on food containing different high-quality protein sources and their effect in sensory anal. Four maintenance foods with different protein sources were formulated: P, poultry meal food; W, wheat gluten food; PW, poultry meal and wheat gluten food; and PWH, poultry meal, wheat gluten, and hydrolyzed protein food. Eight adult French Bulldogs were arranged in a 4×4 Latin square design and adapted to foods for 28 days. Fresh faeces were collected for anal. of volatile organic compounds (VOCs) and sensory anal. The means were compared by SAS, and statistical significance was indicated by p ≤ 0.05. No adverse effects were observed in the animals regarding VOCs, and a significant difference was observed in two of the 68 compounds identified. The animals fed a P food had higher concentrations of phenol in the faeces, whereas the indole compound was present at higher concentrations in animals fed the W food. P food was associated with higher odor perception during sensory evaluation. In summary, the source of protein in the foods had little impact on the composition of VOCs, and a greater perception of the odor was determined by sensory anal. when foods containing animal protein were administered.

Journal of Animal Physiology and Animal Nutrition published new progress about Dietary proteins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Name: 4-Hydroxy-3-tert-butylanisole.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Sonda, Shuji published the artcileSynthesis and pharmacological evaluation of benzamide derivatives as selective 5-HT4 receptor agonists, Formula: C8H9ClO, the main research area is piperidinylmethylamine benzoic acid amidation; benzamide derivative preparation 5HT4 ligand; piperidinylmethyl benzamide stereoselective preparation 5HT4 ligand.

It is thought that selective 5-HT4 receptor agonists-such as 4-amino-5-chloro-2-methoxy-N-[1-(6-oxo-6-phenylhexyl)piperidin-4-ylmethyl]benzamide (I)-have the ability to enhance both upper and lower gastrointestinal motility without any significant adverse effects. Modification of I was performed. Variation of the piperidin-4-ylmethyl moiety of I led to a decrease in the binding affinity for the 5-HT4 receptor. Following conversion of the carbonyl group on the benzoyl part to a hydroxyl or sulfoxide group, the binding affinity for the 5-HT4 receptor was retained although the effect on defecation was reduced. Many of the 4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamides that had a ether or sulfide moiety in the side-chain part at the 1-position of the piperidine exhibited high affinity for the 5-HT4 receptor. Two of the compounds were selective 5-HT4 receptor agonists, and had a similar effect on defecation to I.

Bioorganic & Medicinal Chemistry published new progress about 5-HT4 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Formula: C8H9ClO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem