Month: December 2022

Gabor, Krisztina published the artcileCharacterization of CprK1, a CRP/FNR-type transcriptional regulator of halorespiration from Desulfitobacterium hafniense, Related Products of chlorides-buliding-blocks, the publication is Journal of Bacteriology (2006), 188(7), 2604-2613, database is CAplus and MEDLINE.

The recently identified CprK branch of the CRP (cAMP receptor protein)-FNR (fumarate and nitrate reduction regulator) family of transcriptional regulators includes proteins that activate the transcription of genes encoding proteins involved in reductive dehalogenation of chlorinated aromatic compounds Here we report the characterization of the CprK1 protein from Desulfitobacterium hafniense, an anaerobic low-G+C gram-pos. bacterium that is capable of reductive dechlorination of 3-chloro-4-hydroxyphenylacetic acid (Cl-OHPA). The gene encoding CprK1 was cloned and functionally overexpressed in Escherichia coli, and the protein was subsequently purified to homogeneity. To investigate the interaction of CprK1 with three of its predicted binding sequences (dehaloboxes), we performed in vitro DNA-binding assays (electrophoretic mobility shift assays) as well as in vivo promoter probe assays. These results show that CprK1 binds its target dehaloboxes with high affinity (dissociation constant, 90 nM) in the presence of Cl-OHPA and that transcriptional initiation by CprK1 is influenced by deviations in the dehaloboxes from the consensus TTAAT—-ATTAA sequence. A mutant CprK1 protein was created by a Val→Glu substitution at a conserved position in the recognition α-helix that gained FNR-type DNA-binding specificity, recognizing the TTGAT—-ATCAA sequence (FNR box) instead of the dehaloboxes. CprK1 was subject to oxidative inactivation in vitro, most likely caused by the formation of an intermol. disulfide bridge between Cys11 and Cys200. The possibility of redox regulation of CprK1 by a thiol-disulfide exchange reaction was investigated by using two Cys→Ser mutants. These results indicate that a Cys11-Cys200 disulfide bridge does not appear to play a physiol. role in the regulation of CprK1.

Journal of Bacteriology published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Related Products of chlorides-buliding-blocks.

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

Balin, A. I. published the artcileAminodisulfides as additives to lubricating materials, Synthetic Route of 1002-41-1, the publication is Khimiya i Tekhnologiya Topliv i Masel (1980), 10-11, database is CAplus.

Refluxing (RCHClCH₂)₂S₂ (R is Ph [29184-39-2], octyl [74639-15-9], C_5-8 alkyl, or C_8-12 alkyl) with NH(CH₂CH₂OH)₂ [111-42-2] in H₂O or dioxane gave a series of [RCH[N(CH₂CH₂OH)₂]CH₂]₂S₂ derivatives which are used as antiwear additives in lubricating oils. The refluxing was carried out at 105-127° depending on solvent and reactants for 1-7 h. The yields were 76-90.5%. The products contained â‰?.2% Cl and were not corrosive.

Khimiya i Tekhnologiya Topliv i Masel published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Synthetic Route of 1002-41-1.

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

Chittiboyina, Amar G. published the artcileDesign and Synthesis of the First Generation of Dithiolane Thiazolidinedione- and Phenylacetic Acid-Based PPARγ Agonists, COA of Formula: C8H7ClO3, the publication is Journal of Medicinal Chemistry (2006), 49(14), 4072-4084, database is CAplus and MEDLINE.

A series of novel derivatives of potent antioxidant vitamin, α-lipoic acid, and related analogs were designed, synthesized, and evaluated for their PPARγ agonist activities. Compounds I and the water soluble analog II (R = COCH₂NH₂.HCl) were found to be potent PPARγ agonists. I appeared to have a significant role in improving insulin sensitivity and reducing triglyceride levels in fa/fa rats as well as inhibited proliferation of a variety of normal and neoplastic cultured human cell types. These novel compounds may prove efficacious not only in the treatment of Type 2 diabetes, but also atherosclerosis, prevention of vascular restenosis, and inflammatory skin diseases.

Journal of Medicinal Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, COA of Formula: C8H7ClO3.

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

Selvakumari, S. published the artcileDonor acceptor groups effect, polar protic solvents influence on electronic properties and reactivity of 2-Chloropyridine-4-carboxylic acid, Quality Control of 6313-54-8, the publication is Journal of the Indian Chemical Society (2022), 99(6), 100478, database is CAplus.

The computational reckoning of 2-Chloropyridine-4-carboxylic acid (2CP4CA) was accomplished employing DFT/B3LYP with the root set as 6-311++G(d, p). The impact of polar protic solvents which are eco-friendly solvents (water, methanol, ethanol, 1-propanol) on 2CP4CA were analyzed. To examine the solvent effect, vibrational investigations and NLO reports of 2CP4CA in dissimilar solvents were executed. Geometrical properties were also established in gas phase for 2CP4CA. Exercising VEDA program, the entire vibrational assignment was accomplished. Donor-acceptor exchanges were ascertained utilizing NBO scrutiny technique. Thermodn. properties of 2CP4CA were analyzed at different temperatures By applying TD – DFT approach, theoretic UV-Vis absorption spectrum was procured in different solvents. In order to evaluate the complete electron concentration and sensitive spots of 2CP4CA, MEP coupled with FMO analyzes were employed. HOMO along with LUMO orbitals and energy band gap were acquired for 2CP4CA employing dissimilar polar protic solvents. Addnl., ELF, LOL and charge transfer studies were also executed. RDG anal. has been exercised for revealing non-covalent interactions.

Journal of the Indian Chemical Society published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C14H31NO2, Quality Control of 6313-54-8.

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

Shelly, Kevin P. published the artcileGeneral acid catalysis in the enolization of acetone, Application In Synthesis of 6249-56-5, the publication is Canadian Journal of Chemistry (1989), 67(8), 1274-82, database is CAplus.

Iodometry was used to study the enolization of acetone in water catalyzed by HCl, MeSO₃H, 24 aliphatic monocarboxylic acids, nine aromatic monocarboxylic acids, eight aliphatic dicarboxylic acids, and 20 monoanions of dicarboxylic acids. The log k-pK profile for unbuffered solutions of strong and moderately strong acids shows a maximum near pK â‰?0. The Broensted α value for a set of eight aliphatic monocarboxylic acids in which effects of bulk, charge, and polarizability are at a min. is 0.56. Steric effects, probably augmented by polarizability effects in some cases, cause pos. deviations form the Broensted line drawn with respect to these standard acids. Anionic carboxylic acids are also more reactive than would be predicted from their equilibrium acid strengthens, whereas cationic acids tend to be less reactive. Using D₂O as solvent has only a small effect on the rate of carboxylic acid catalysis. Using acetone-d₆ gives values of k_H/k_D in the range of 7.0-8.0 at 25°, values consistent with a proton or deuteron being transferred between two bases of comparable strength, the carboxylate anion and the enol form of acetone.

Canadian Journal of Chemistry published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C8H5F3O3, Application In Synthesis of 6249-56-5.

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

de Lucas, Ana I. published the artcileScaffold Hopping to Imidazo[1,2-a]pyrazin-8-one Positive Allosteric Modulators of Metabotropic Glutamate 2 Receptor, Computed Properties of 1860005-05-5, the publication is ACS Omega (2021), 6(35), 22997-23006, database is CAplus and MEDLINE.

Glutamate hyperfunction is implicated in multiple neurol. and psychiatric diseases. Activation of the mGlu2 receptor results in reduced glutamate release and decreased excitability representing a promising novel therapeutic agent for the treatment of disorders such as epilepsy, schizophrenia, mood, anxiety, and other neuropsychiatric disorders. We have previously reported substantial efforts leading to potent and selective mGlu2 PAMs from different chem. series. Herein, the discovery and optimization of a novel series of imidazopyrazinone mGlu2 PAMs are reported. This new scaffold originated from computational searching of fragment databases and comparison with our previously explored scaffolds. Optimization guided by our robust understanding of SAR from former series led to potent, selective, and brain-penetrant compounds

ACS Omega published new progress about 1860005-05-5. 1860005-05-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronate Esters,Boronate Esters, name is 2-(3-Chloro-4-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C16H22BClO3, Computed Properties of 1860005-05-5.

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

Presa, Andreu published the artcilePhotoactivation of the Cytotoxic Properties of Platinum(II) Complexes through Ligand Photoswitching, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, the publication is Inorganic Chemistry (2018), 57(7), 4009-4022, database is CAplus and MEDLINE.

The development of photoactivatable metal complexes with potential anticancer properties is a topical area of current investigation. Photoactivated chemotherapy (PACT) using coordination compounds is typically based on photochem. processes occurring at the metal center. In the present study, an innovative approach is applied that takes advantage of the remarkable photochem. properties of diarylethenes. Following a proof-of-concept study with two complexes, namely C1 and C2, a series of addnl. platinum(II) complexes from dithienylcyclopentene-based ligands have been designed and prepared Like C1 and C2, these new coordination compounds exhibit two thermally stable, interconvertible photoisomers that display distinct properties. The photochem. behavior of ligands L3-L7 has been analyzed by 1H NMR and UV-vis spectroscopy. Subsequently, the corresponding platinum(II) complexes C3-C7 have been synthesized and fully characterized, including by X-ray diffraction for some of them. Next, the interaction of each photoisomer (i.e., containing the open or closed ligand) of the metal complexes with DNA has been examined thoroughly using various techniques, revealing their distinct DNA-binding modes and affinities, as observed for the earlier compounds C1 and C2. The antiproliferative activity of the two forms of the complexes has then been assessed with five cancer cell lines and compared with that of C1 and C2, which supported the use of such diarylethene-based systems for the generation of a new class of potential photochemotherapeutic metallodrugs.

Inorganic Chemistry published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene.

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

Ghosh, Harisadhan published the artcileSynthesis of axially chiral 1,8-diarylnaphthalene ligands and application in asymmetric catalysis: an intriguing fluorine effect, HPLC of Formula: 21286-54-4, the publication is Tetrahedron: Asymmetry (2015), 26(2-3), 79-84, database is CAplus.

A fluorinated and a non-fluorinated axially chiral 1,8-diarylnaphthalene ligand have been synthesized through an Ullmann and Suzuki coupling reaction based strategy. A practical methodol. for the successful chiral resolution of the newly synthesized catechol based moiety is presented. The authors also disclose the preliminary application of these axially chiral mols. as ligands in asym. transformation reactions. The synthesis of the target compounds was achieved by a reaction of 1,8-diiodonaphthalene with 1,2,3,4,5-pentafluoro-6-(iodo)benzene and formation of 1-iodo-8-(pentafluorophenyl)naphthalene. A Suzuki coupling of this aryl iodide with (2,3,6-trimethoxyphenyl)boronic acid gave a biaryl which was deprotected and resolved to deliver axially chiral biaryls 4-methoxy-3-[(1S)-8-(pentafluorophenyl)-1-naphthalenyl]-1,2-benzenediol and 4-methoxy-3-[(1R)-8-(pentafluorophenyl)-1-naphthalenyl]-1,2-benzenediol which was transformed into chiral titanium complexes.

Tetrahedron: Asymmetry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, HPLC of Formula: 21286-54-4.

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

Lisetski, L. N. published the artcileEffects of membranotropic agents on mono- and multilayer structures of dipalmitoylphosphatidylcholine, SDS of cas: 38146-42-8, the publication is European Biophysics Journal (2002), 31(7), 554-558, database is CAplus and MEDLINE.

We have studied the action of some membranotropic agents (MTAs) on the parameters of mono- and multilayers of dipalmitoylphosphatidylcholine (DPPC). The MTAs used included an antimicrobial drug, decamethoxinum, the model amphiphilic agent stearoyl-L-α-alanine, and cholesterol as a reference substance. Using differential scanning calorimetry and the Langmuir monolayer technique, we measured the temperature and enthalpy of the main phase transition of DPPC, the mean mol. area, the collapse pressure and the free energy of the mixed monolayers of DPPC and MTA. A good correlation has been obtained between the structure of the MTA used and changes in the parameters of both mono- and multilayers. Thus, for cholesterol, its well-known condensing effect in the L_α phase correlates with its behavior in the mixed monolayers. The disturbing action of decamethoxinum (depression of the phase transition in DPPC multilayers and relatively high free energy of mixing in monolayers) is presumably connected with interaction of its charged ammonium moieties with polar phospholipid heads. At the same time, stearoyl-L-α-alanine condensed the lipid layers and increased the m.p. of DPPC, owing to its interaction with both polar and non-polar lipid moieties. One can conclude that the three MTAs used can really be considered as representative examples of three different types of behavior in mono- and multilayers.

European Biophysics Journal published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, SDS of cas: 38146-42-8.

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

Rodrigues, Elsa T. published the artcileCell-based assays as an alternative for the study of aquatic toxicity of pharmaceuticals, Formula: C12H15ClO3, the publication is Environmental Science and Pollution Research (2020), 27(7), 7145-7155, database is CAplus and MEDLINE.

An increasing number and amount of pharmaceuticals for human and veterinary use currently reach the aquatic environment, and the determination of their effects on aquatic organisms becomes of major importance. The 96-h fish lethal test is one of the conventional assays required for environmental hazardous assessment, but it is extremely time-consuming and costly, and it raises ethical concerns. In a broad study, we compared the ability of cell-based assays to detect, in absolute terms, lethal toxicity in fish due to pharmaceuticals in order to select sensitive cell lines to be posteriorly used as an alternative to fish testing. This study also explored the sensitivity of the rat cardiomyoblast H9c2(2-1) cell line and the suitability of the sulforhodamine B colorimetric assay regarding 15 pharmaceuticals belonging to 9 different therapeutic classes. The relation between in vivo and in vitro data was expressed as LC_50,96h/EC₅₀ ratios, and 66% of concordant data were attained. Accordingly, it was possible to conclude that cell-based assays could be considered a suitable alternative to fish lethal testing for pharmaceuticals, which, after validation, may dramatically reduce the number of fish required for environmental hazardous assessment. Several cell lines were selected as promising alternatives, but H9c2(2-1), HepG2, PLHC-1, and RTG-2 could be considered suitable starting cell types for further studies, as relevant results were obtained with low exposure times.

Environmental Science and Pollution Research published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Formula: C12H15ClO3.

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