Category: 3964-57-6

Fujimori, Ko; Iguchi, Yusuke; Yamashita, Yukiko; Gohda, Keigo; Teno, Naoki published the artcile< Synthesis of Novel Farnesoid X Receptor Agonists and Validation of Their Efficacy in Activating Differentiation of Mouse Bone Marrow-Derived Mesenchymal Stem Cells into Osteoblasts>, SDS of cas: 3964-57-6, the main research area is farnesoid receptor agonist mesenchymal stem cell differentiation osteoblast; FXR; agonist; bone; mesenchymal stem cells; osteoblast.

The modulators of farnesoid X receptor (FXR), a bile acid receptor, regulate various biol. processes including bile acid metabolism and are associated with the control of fatty liver and osteoporosis. Thus, the control of FXR activity and development of FXR modulators are critical not only for research, but also for clin. application. In this study, we synthesized novel FXR agonists 1-4 possessing isoxazole and N-substituted benzimidazole moieties, and compared their effects on osteoblast differentiation with the known FXR agonists, chenodeoxycholic acid and a synthetic compound GW4064. Two (3 and 4) of the four novel FXR agonists 1-4 showed high specificities for FXR. Computer-assisted modeling suggested that the binding of the FXR agonist 3 with ligand binding domain of FXR was similar to GW4064. FXR was expressed in mouse bone marrow-derived mesenchymal stem cell (MSC)-like ST2 cells (ST-2 MSCs). The FXR agonists activated the BMP-2-induced differentiation of ST-2 MSCs into osteoblasts and enhanced the expression of RUNX2. Moreover, the potency of the FXR agonist 3 was comparable to GW4064 in promoting osteoblast differentiation of ST-2 MSCs. These results indicate that FXR activation enhanced the BMP-2-induced differentiation of MSCs into osteoblasts through activating RUNX2 expression. FXR could be a potential therapeutic target for the treatment of bone diseases such as osteoporosis.

Molecules published new progress about Animal gene, COL1A1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, SDS of cas: 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kalaimani, S.; Ali, B. Mohamad; Nasar, A. Sultan published the artcile< Successful synthesis of blocked polyisocyanates, using easily cleavable phenols as blocking agents, and their deblocking and cure studies>, Related Products of 3964-57-6, the main research area is cure blocked polyisocyanate phenol blocking agent deblocking.

Phenols with electron withdrawing substituents at the 2,4-positions are important for use as blocking agents for isocyanates. Blocked polyisocyanates derived using such blocking agents are attractive for producing heat-cured polyurethane products at relatively low temperatures, i.e., below 160°C. In this study, a series of blocked polyisocyanates were prepared using phenol, 2,4-dichlorophenol, 2-chloro-4-esterphenol and 2-chloro-4-nitrophenol; their blocking and deblocking kinetics, deblocking temperatures, equilibrium temperatures, equilibrium rate constants and cure-times were studied using a hot-stage FT-IR spectrophotometer, adapting neat conditions. Double Arrhenius plots for these thermally reversible systems were reported with an aim to understanding the relationship between forward and reverse reactions. It was found that the rates of forward and reverse reactions and equilibrium rates increased with increasing the acidity of phenol, except in the case of 2-chloro-4-nitrophenol; correspondingly, the deblocking temperature and cure-time of blocked polyisocyanates decreased. Blocked polyisocyanates obtained using unsubstituted phenol showed equilibrium temperature as a range in the double Arrhenius plot, whereas, in the case of 2,4-dichlorophenol and 2-chloro-4-nitrophenol, the Arrhenius plots showed distinct equilibrium temperatures The equilibrium temperature range or equilibrium temperature of 2-chloro-4-esterphenol-blocked polyisocyanate was not determined, as extrapolation of its plot was found to extend out of the temperature range studied. Importantly, as expected with strong background, all three di-substituted phenols were found to deblock remarkably below 55-70°C, compared to unsubstituted phenol, which deblocks at 135°C. More importantly, 2-chloro-4-nitrophenol deblocks at 65°C and its blocked polyisocyanate cures with polyol within 25 min at 110°C.

RSC Advances published new progress about Absorption. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Related Products of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Terasaki, Masanori; Makino, Masakazu published the artcile< Determination of chlorinated by-products of parabens in swimming pool water>, Product Details of C8H7ClO3, the main research area is chlorinated byproduct paraben swimming pool water pollution.

We describe the determination of trace amounts of chlorinated parabens, i.e. disinfection byproducts, in swimming pool water, using gas chromatog.-mass spectrometry with selected ion monitoring (GC-MS-SIM). A dichlorinated byproduct of isopropylparaben was detected at levels of ≤25 ng/L. A dichlorinated byproduct of methylparaben and a monochlorinated byproduct of benzylparaben were present in concentrations lower than the limit of quantification. Benzylparaben, the parent compound, was also detected at concentrations ≤28 ng/L. In this study, chlorinated parabens were detected and quantified for the 1st time as disinfection byproducts in swimming pool water. The results have raised concerns regarding the chlorinated byproducts of active ingredients used in personal care products.

International Journal of Environmental Analytical Chemistry published new progress about Cosmetics and Personal care products. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Product Details of C8H7ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Wenhui; Gao, Lihong; Shi, Yali; Wang, Yuan; Liu, Jiemin; Cai, Yaqi published the artcile< Spatial distribution, temporal variation and risks of parabens and their chlorinated derivatives in urban surface water in Beijing, China>, Reference of 3964-57-6, the main research area is spatial distribution temporal variation risk paraben chlorinated derivative; risk paraben chlorinated derivative river lake water Beijing China; Parabens; Risk assessment; Spatial distribution; Temporal variation; Urban surface water.

The occurrence and distribution of 13 target compounds, including 8 parabens, 4 chlorinated parabens and p-hydroxybenzoic acid (PHBA), were detected in surface water samples at 35 sampling sites in the Beijing River system, China. The surface water samples were collected from the main rivers and lakes in the urban area monthly from July 2013 to June 2014 (except the frozen period). Laboratory analyses revealed that parabens were ubiquitous in the surface water of Beijing. PHBA was the predominant compound in the surface water samples, with the average concentration of 239 ng/L, followed by the total amount of chlorinated parabens (average 50.1 ng/L) and parabens (average 44.3 ng/L). It is noteworthy that octylparaben with longer chain was 1st detected in the surface water. Significant difference was observed for paraben concentrations from different sampling sites, and the highest level of parabens was found in the Xiaotaihou River, which was mainly due to the untreated sewage discharge. Seasonal variation of target compounds in the urban surface water was also studied, and parabens exhibited a different temporal variation from chlorinated derivatives A combination of factors including high residual Cl level and water temperature as well as intense UV radiation might enhance the persistence of chlorinated parabens in chlorinated water during the wet season. Risk assessment showed that parabens and their chlorinated derivatives are not likely to produce biol. effects on aquatic ecosystems at current levels in the surface water of Beijing.

Science of the Total Environment published new progress about Algae. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Reference of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Montgomery, Justin I.; Toogood, Peter L.; Hutchings, Kim M.; Liu, Jia; Narasimhan, Lakshmi; Braden, Timothy; Dermyer, Michael R.; Kulynych, Angela D.; Smith, Yvonne D.; Warmus, Joseph S.; Taylor, Clarke published the artcile< Discovery and SAR of benzyl phenyl ethers as inhibitors of bacterial phenylalanyl-tRNA synthetase>, Name: Methyl 3-chloro-4-hydroxybenzoate, the main research area is ether benzyl aryl preparation bacterial phenylalanyl tRNA synthetase inhibitor.

A series of benzyl aryl ethers I (X = CH, N; R1 = 3-Cl, 4-Cl, 3,4-F2, 3,5-F2; R2 = H, Cl, Me; Y = CO2Me, SO2NMeCH2CH2NEt2, CONHCMeCH2OH, 1,3,4-oxadiazol-2-yl, etc.) that displays potent inhibition of bacterial phenylalanyl-tRNA synthetase is described. The synthesis, SAR, and select ADMET data are provided.

Bioorganic & Medicinal Chemistry Letters published new progress about Alkyl aryl ethers Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Name: Methyl 3-chloro-4-hydroxybenzoate.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zander, Frank; Finkelmann, Heino published the artcile< State of Order of the Crosslinker in Main-Chain Liquid Crystalline Elastomers>, Related Products of 3964-57-6, the main research area is state order crosslinker main chain liquid crystalline elastomer.

Rigid anisotropic crosslinkers were shown to decrease the nematic order and the transition temperatures of main-chain liquid crystalline elastomers (MCLCEs). In order to look into this phenomenon, the state of order of an anisotropic crosslinker in an MCLCE was studied sep. from that of the matrix. For this purpose, multifunctional perylene derivatives were synthesized and used as a crosslinker and as a reference mesogen probe. Their states of order were measured by their dichroism, and were compared to that of the MCLCE matrix. A systematically lower degree of order was observed for the crosslinker in comparison to the matrix, both when attached to and dissolved in the network.

Macromolecular Chemistry and Physics published new progress about Crosslinking agents. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Related Products of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Simpson, Harold N.; Hancock, C. Kinney; Meyers, Edward A. published the artcile< The correlation of the electronic spectra, acidities, and polarographic oxidation half-wave potentials of 4-substituted 2-chlorophenols with substituent constants>, Related Products of 3964-57-6, the main research area is .

The electronic spectra, pKA values, and polarographic oxidation half-wave potentials of a series of 4-substituted 2-chlorophenols (I) have been measured. Correlations of these data have been made and compared with correlations previously reported for a series of 4-substituted 2-nitrophenols (II) and a series of 5-substituted 2-nitrophenols (III). For all three of these series, there are excellent correlations between pKA and σ, with the ρ value of -2.22 for I agreeing closely with that of -2.16 for II but being much more positive than that of -3.01 for III. As with II and III, there is a good correlation between νB and νA, but the relationship between Δν and pKA is unsatisfactory. Excellent correlations exist between E1/2 and σ and between E1/2 and pKA. These and other relationships are discussed.

Journal of Organic Chemistry published new progress about 3964-57-6. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Related Products of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Stoyanova-Slavova, Iva B.; Slavov, Svetoslav H.; Pearce, Bruce; Buzatu, Dan A.; Beger, Richard D.; Wilkes, Jon G. published the artcile< Partial least square and k-nearest neighbor algorithms for improved 3D quantitative spectral data-activity relationship consensus modeling of acute toxicity>, Electric Literature of 3964-57-6, the main research area is acute toxicity modeling QSDAR; 3D quantitative spectral data-activity relationship (QSDAR); Aquatic toxicology; Computational toxicology; Consensus modeling; Multivariate statistic.

A diverse set of 154 chems. that included US Food and Drug Administration-regulated compounds tested for their aquatic toxicity in Daphnia magna were modeled by a 3-dimensional quant. spectral data-activity relationship (3D-QSDAR). Two distinct algorithms, partial least squares (PLS) and Tanimoto similarity-based k-nearest neighbors (KNN), were used to process bin occupancy descriptor matrixes obtained after tessellation of the 3D-QSDAR space into regularly sized bins. The performance of models utilizing bins ranging in size from 2 ppm × 2 ppm × 0.5 Å to 20 ppm × 20 ppm × 2.5 Å was explored. Rigorous quality-control criteria were imposed: 100 randomized 20% hold-out test sets were generated and the average R2test of the resp. models was used as a measure of their performance, and a Y-scrambling procedure was used to identify chance correlations. A consensus between the best-performing composite PLS model using 0.5 Å × 14 ppm × 14 ppm bins and 10 latent variables (average R2test = 0.770) and the best composite KNN model using 0.5 Å × 8 ppm × 8 ppm and 2 neighbors (average R2test = 0.801) offered an improvement of about 7.5% (R2test consensus = 0.845). Projection of the most frequently occurring bins on the standard coordinate space indicated that the presence of a primary or secondary amino group-substituted aromatic systems-would result in an increased toxic effect in Daphnia. The presence of a second aromatic ring with highly electroneg. substituents 5 Å to 7 Å apart from the first ring would lead to a further increase in toxicity. Environ Toxicol Chem 2014;33:1271-1282.

Environmental Toxicology and Chemistry published new progress about Acute toxicity. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Electric Literature of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Skidmore, John; Heer, Jag; Johnson, Christopher N.; Norton, David; Redshaw, Sally; Sweeting, Jennifer; Hurst, David; Cridland, Andrew; Vesey, David; Wall, Ian; Ahmed, Mahmood; Rivers, Dean; Myatt, James; Giblin, Gerard; Philpott, Karen; Kumar, Umesh; Stevens, Alexander; Bit, Rino A.; Haynes, Andrea; Taylor, Simon; Watson, Robert; Witherington, Jason; Demont, Emmanuel; Heightman, Tom D. published the artcile< Optimization of Sphingosine-1-phosphate-1 Receptor Agonists: Effects of Acidic, Basic, and Zwitterionic Chemotypes on Pharmacokinetic and Pharmacodynamic Profiles>, Name: Methyl 3-chloro-4-hydroxybenzoate, the main research area is sphingosine phosphate receptor agonist preparation pharmacokinetics.

The efficacy of the recently approved drug fingolimod (FTY720) in multiple sclerosis patients results from the action of its phosphate metabolite on sphingosine-1-phosphate S1P1 receptors, while a variety of side effects have been ascribed to its S1P3 receptor activity. Although S1P and phospho-fingolimod share the same structural elements of a zwitterionic headgroup and lipophilic tail, a variety of chemotypes have been found to show S1P1 receptor agonism. Here the authors describe a study of the tolerance of the S1P1 and S1P3 receptors toward bicyclic heterocycles of systematically varied shape and connectivity incorporating acidic, basic, or zwitterionic headgroups. The authors compare their physicochem. properties, their performance in in vitro and in vivo pharmacokinetic models, and their efficacy in peripheral lymphocyte lowering. The campaign resulted in the identification of several potent S1P1 receptor agonists, e.g. I, with good selectivity vs. S1P3 receptors, efficacy at <1 mg/kg oral doses, and developability properties suitable for progression into preclin. development. Journal of Medicinal Chemistry published new progress about Homo sapiens. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Name: Methyl 3-chloro-4-hydroxybenzoate.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Narisetty, Rajasekhar; Chandrasekhar, K. B.; Mohanty, Sandeep; Rao, M. Rameswara; Balram, B. published the artcile< Synthesis and antimicrobial evaluation of some novel hydrazone derivatives of 2,5-Difluorobenzoic acid>, Application of C8H7ClO3, the main research area is hydrazone difluorobenzoic acid preparation antimicrobial; benzaldehyde hydrazide condensation.

In continuation of research on novel hydrazone derivatives derived from 2,5-Difluorobenzoic acid, a series of new hydrazide derivatives I (R = 2-CF3, 4-Br, 4-F, etc.) are synthesized with the aim of attaining promising antimicrobial compounds to improve actual antimicrobial treatments.

Journal of Applicable Chemistry (Lumami, India) published new progress about Antibacterial agents. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application of C8H7ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics