Category: chlorides-buliding-blocks

Schmidt, Stine N. published the artcileLinking algal growth inhibition to chemical activity: Excess toxicity below 0.1% of saturation, Application In Synthesis of 350-30-1, the publication is Chemosphere (2018), 880-886, database is CAplus and MEDLINE.

The first aim was to challenge this chem. activity range for baseline toxicity. Algal growth inhibition data (median effective concentrations, EC₅₀) were compiled from two recent studies and included 108 compounds categorized as non-polar (mode of toxic action, MOA1) and polar (MOA2) narcotics. These data were linked to chem. activity by (1) plotting them relative to a regression for (subcooled) liquid solubility (S_L), which served as visual reference for chem. activity of unity and (2) determining EC₅₀/S_L ratios that essentially equal median effective chem. activity (Ea₅₀). Growth inhibition required chem. activity >0.01 for MOA1 and >0.001 for MOA2 compounds The second aim was to identify compounds exerting excess toxicity, i.e., when growth inhibition occurred at chem. activity <0.001. Of these compounds, 16 are pesticides or precursors. This study includes two methods for translating EC₅₀ values into the chem. activity framework, each having advantages and limitations. Scientifically, this study confirms that baseline toxicity generally requires chem. activities of 0.01-0.1 and extends the application of the chem. activity approach beyond baseline toxicity, by demonstrating its utility to identify compounds that exert excess toxicity.

Chemosphere published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

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

Berry, James P. published the artcileFluoride-induced cleavage of the carbon-phosphorus bond in diethyl trichloromethylphosphonate. Source of dichlorocarbene and dialkyl phosphorofluoridates, COA of Formula: C5H10Cl3O3P, the publication is Journal of Organic Chemistry (1968), 33(4), 1664-5, database is CAplus.

Di-Et trichloromethylphosphonate (I) is heated with KF.2H2O to give CHCl3; I is heated with anhydrous KF to give (EtO)2P(O)F. I is treated with anhydrous KF in cyclohexene and the dichlorocarbene obtained adds to cyclohexene to give 7,7-dichlorobicyclo[4.1.0]heptane (II). I is treated with KF in MeOH to give (EtO)2POMe.

Journal of Organic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, COA of Formula: C5H10Cl3O3P.

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

Markwalder, Jay A. published the artcileSynthesis and Biological Evaluation of 1-Aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one Inhibitors of Cyclin-Dependent Kinases, Application In Synthesis of 1869-22-3, the publication is Journal of Medicinal Chemistry (2004), 47(24), 5894-5911, database is CAplus and MEDLINE.

Using a high-throughput screening strategy, a series of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-ones I [R¹ = 2-ClC₆H₄, 2-Cl-6-FC₆H₃, 2,4,6-Cl₃C₆H₂, etc.; R² = Et, MeS, F₃C, HOCH₂, etc.; R³ = H, Me, cyclopropyl, MeO₂C, 2-furyl, 3,4-(MeO)₂C₆H₄, PhCH₂, etc.] was identified that inhibit the cyclin-dependent kinase (CDK) 4/cyclin D1 complex-mediated phosphorylation of a protein substrate with IC₅₀s in the low micromolar range. On the basis of preliminary structure-activity relationships (SAR), a model was proposed in which these inhibitors occupy the ATP-binding site of the enzyme, forming critical hydrogen bonds to the same residue (Val96) to which the amino group in ATP is presumed to bind. X-Ray diffraction studies on I [R¹ = 2,4,6-Cl₃C₆H₂; R² = Et; R³ = 3,4-(HO)₂C₆H₃CH₂] bound to CDK2 support this binding mode. Iterative cycles of synthesis and screening lead to a novel series of potent, CDK2-selective 6-(arylmethyl)pyrazolopyrimidinones. Placement of a hydrogen-bond donor in the meta-position on the 6-arylmethyl group resulted in ∼100-fold increases in CDK4 affinity, giving ligands that were equipotent inhibitors of CDK4 and CDK2. These compounds exhibit antiproliferative effects in the NCI HCT116 and other cell lines. The potency of these antiproliferative effects is enhanced in anilide derivatives and translates into tumor growth inhibition in a mouse xenograft model.

Journal of Medicinal Chemistry published new progress about 1869-22-3. 1869-22-3 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Hydrazine,Amine,Benzene, name is 1-(2-Chloro-5-(trifluoromethyl)phenyl)hydrazine, and the molecular formula is C7H6ClF3N2, Application In Synthesis of 1869-22-3.

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

Nadir, Upender K. published the artcileA facile synthesis of N-arylsulfonylazetidines through the reaction of N-arylsulfonylaziridines with dimethyloxosulfonium methylide and a PTC [phase-transfer catalyst], Product Details of C3H9ClOS, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1993), 32B(2), 297-8, database is CAplus.

N-Arylsulfonylazetidines (I; R¹ = e.g., H, C₆H₄Me-p; R² = alkyl, aryl) can be prepared in 18-55% yield by the reaction of corresponding aziridines (II) with dimethyloxosulfonium methylide in the presence of a PTC (e.g., tetrabutylammonium hydrogen sulfate). Aziridines substituted at positions 2 and 3 failed to react.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 5034-06-0. 5034-06-0 belongs to chlorides-buliding-blocks, auxiliary class Salt,Aliphatic hydrocarbon chain, name is trimethyloxosulphonium chloride, and the molecular formula is C3H9ClOS, Product Details of C3H9ClOS.

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

Mostajeran, Neda published the artcileSolvent-Free Synthesis and Antibacterial Evaluation of Novel Coumarin Sulfonamides, Formula: C9H5ClO4S, the publication is Pharmaceutical Chemistry Journal (2018), 52(1), 1-7, database is CAplus.

A series of new coumarin-6-sulfonamides have been synthesized as potential antibacterial agents. The reaction of coumarin with chlorosulfonic acid was found to yield the corresponding coumarin sulfonyl chloride. In the next step, coumarin sulfonyl chloride, was reacted with various amines in the presence of K₂CO₃ under solvent-free conditions to produce coumarin sulfonamides I (R = Ph, cyclohexyl, piperazinyl, etc.) in good to excellent yields. All the synthesized compounds have been screened for their in vitro anti-bacterial activities against Escherichia coli and Staphylococcus aureus bacteria.

Pharmaceutical Chemistry Journal published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, Formula: C9H5ClO4S.

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

Bell, C. Cynitha Wise published the artcileStructural, spectroscopic and O-H···O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques, Synthetic Route of 33697-81-3, the publication is Journal of Molecular Structure (2020), 127471, database is CAplus.

Spectral anal. of com. available cardiovascular drug 4-(hydroxyphenoxy)acetic acid (HPAA) was performed by exptl. and theor. IR, Raman, UV-Vis and NMR techniques. The optimized geometry, wavenumber and intensity of the vibrational bands of a monomer and dimer form of hydroxyphenoxy acetic acid and its related compounds were obtained by the d. functional theory (B3LYP) using 6-311 + G(D,P) basis set to reveal the cardiovascular activity of the compound The most stable conformation of the title compound was carried out by potential energy scan anal. to identify the active sites of the mol. The natural bond orbital anal. was performed to analyze the activity of the compound The HOMO-LUMO and MEP analyses were carried out to identify the active part of the mol. This work was extended to calculate the binding energy and cardiovascular active part of the title compound with suitable protein by Autodock software. The mol. descriptors obtained by the DFT method was used for QSAR model and predicting the cytotoxicity of HPAA. Fingerprint plots and Hirshfeld surfaces were used to locate and analyze the mol. surface and bonding interactions and cardiovascular activity in various methodologies utilized in the establishment of the relative energies. 4-(hydroxyphenoxy)acetic acid was screened for its cardiovascular activity.

Journal of Molecular Structure 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, Synthetic Route of 33697-81-3.

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

Mizukawa, Yumiko published the artcileExtraction of peroxisome proliferator-activated receptor α agonist-induced lipid metabolism-related and unrelated genes in rat liver and analysis of their genomic location, Quality Control of 637-07-0, the publication is Journal of Toxicological Sciences (2020), 45(8), 449-473, database is CAplus.

Although peroxisome proliferator-activated receptor α (PPARα) agonists are obviously hepatocarcinogenic in rodents, they have been widely used for dyslipidemia and proven to be safe for clin. use without respect to the species difference. It is established that PPARα acts as a part of the transcription factor complex, but its precise mechanism is still unknown. Using the data of Toxicogenomics Database, reliable genes responsive to PPARα agonists, clofibrate, fenofibrate and WY-14,643, in rat liver, were extracted from both in vivo and in vitro data, and sorted by their fold increase. It was found that there were many genes responding to fibrates exclusively in vivo. Most of the in vivo specific genes appear to be unrelated to lipid metabolism and are not upregulated in the kidney. Anal. of PPAR-responsive elements could not explain the observed difference in induction. To evaluate possible interaction between neighboring genes in gene expression, the correlation of the fold changes of neighboring genes for 22 drugs with various PPARα agonistic potencies were calculated for the genes showing more than 2.5 fold induction by 3 fibrates in vivo, and their genomic location was compared with that of the human orthologue. In the present study, many candidates of genes other than lipid metabolism were selected, and these could be good starting points to elucidate the mechanism of PPARα agonist-induced rodent-specific toxicity.

Journal of Toxicological Sciences 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, Quality Control of 637-07-0.

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

Ando, Ryoichi published the artcileDesign, synthesis, and evaluation of novel kazusamycin A derivatives as potent antitumor agents, Product Details of C5H10Cl3O3P, the publication is Bioorganic & Medicinal Chemistry Letters (2006), 16(12), 3315-3318, database is CAplus and MEDLINE.

Novel kazusamycin A derivatives I (R = R¹ = Me, R² = H; R = R² = Me, R¹ = H; R = R¹ = H, R² = Me; R = R¹ = R² = Me) were designed in the viewpoint of decrease of reactivity at the α,β-unsaturated δ-lactone moiety against Michael-type addition Although 25-30 steps were required for the synthesis of each compound, their syntheses were achieved. Cytotoxicity against HPAC cell line was evaluated, and two of them, I (R = R¹ = Me, R² = H; R = R¹ = H, R² = Me), exhibited comparable potency to kazusamycin A. Hepatic toxicity of these designed compounds was much lower than that of kazusamycin A.

Bioorganic & Medicinal Chemistry Letters published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Product Details of C5H10Cl3O3P.

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

Simon, Cedric published the artcileMild Niobium-Catalyzed [2 + 2 + 2] Cycloaddition of Sila-triynes: Easy Access to Polysubstituted Benzosilacyclobutenes, Synthetic Route of 14799-94-1, the publication is Organic Letters (2015), 17(4), 844-847, database is CAplus and MEDLINE.

A new and efficient synthesis of highly sensitive benzosilacyclobutenes has been developed. For the first time, these compounds can be synthesized in very high yields by a mild, unprecedented intramol. niobium-catalyzed [2 + 2 + 2] cycloaddition of easily accessible tetrasubstituted sila-triynes. An easy access to highly functionalized benzosilacyclobutenes enlarging the number of potential applications in organic and material chem. is described.

Organic Letters published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C9H4F6O, Synthetic Route of 14799-94-1.

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

Kordestani, Nazanin published the artcileCopper(II) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities, Safety of 5-Bromo-3-chloro-2-hydroxybenzaldehyde, the publication is Dalton Transactions (2021), 50(11), 3990-4007, database is CAplus and MEDLINE.

To study the effect of different halogen substituents and leaving groups and the flexibility of ligands on the anticancer activity of copper complexes, sixteen copper(II) complexes with eight different tridentate Schiff-base ligands containing pyridine and 3,5-halogen-substituted phenol moieties were synthesized and characterized by spectroscopic methods. Four of these complexes were also characterized by x-ray crystallog. The cytotoxicity of the complexes was determined in three different tumor cell lines (i.e. the A2780 ovarian, HCT116 colorectal and MCF7 breast cancer cell line) and in a normal primary fibroblast cell line. Complexes induce a higher loss of cell viability in the ovarian carcinoma cell line (A2780) with respect to the other two tumor cell lines, and therefore the biol. mechanisms underlying this loss of viability were further studied. Complexes with ligand L₁ (containing a 2-pycolylamine-type motif) were more cytotoxic than complexes with L₂ (containing a 2-(2-pyridyl)ethylamine-type motif). The loss of cell viability in A2780 tumor cells was observed in the order Cu(Cl₂-L₁)NO₃ > Cu(Cl₂-L₁)Cl > Cu(Br₂-L₁)Cl > Cu(BrCl-L₁)Cl. All complexes were able to induce reactive oxygen species (ROS) that could be related to the loss of cell viability. Complexes Cu(BrCl-L₁)Cl and Cu(Cl₂-L₁)NO₃ were able to promote A2780 cell apoptosis and autophagy and for complex Cu(BrCl-L₁)Cl the increase in apoptosis was due to the intrinsic pathway. Cu(Cl₂-L₁)Cl and Cu(Br₂-L₁)Cl complexes lead to cellular detachment allowing to correlate with the results of loss of cell viability. Despite the ability of the Cu(BrCl-L₁)Cl complex to induce programmed cell death in A2780 cells, its therapeutic window turned out to be low making the Cu(Cl₂-L₁)NO₃ complex the most promising candidate for addnl. biol. applications.

Dalton Transactions published new progress about 19652-33-6. 19652-33-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Phenol,Aldehyde, name is 5-Bromo-3-chloro-2-hydroxybenzaldehyde, and the molecular formula is C7H4BrClO2, Safety of 5-Bromo-3-chloro-2-hydroxybenzaldehyde.

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