Month: December 2022

Wang, Dungai published the artcileUnsymmetrical Disulfides Synthesis via Cs₂CO₃-Catalyzed Three-Component Reaction in Water, Synthetic Route of 620-20-2, the publication is Advanced Synthesis & Catalysis (2020), 362(22), 4991-4995, database is CAplus.

An unsym. disulfide synthesis by Cs₂CO₃-catalyzed three-component coupling reaction of thioacetates RSC(O)Me (R = 4-CH₃OC₆H₄, CH₂C₆H₅, oxolan-2-ylmethyl, etc.), sodium thiosulfate, and benzyl halide R¹CH₂Cl (R¹ = C₆H₅, 4-BrC₆H₄, 1-naphthyl, etc.) in water has been described. The safe, stable, and non-toxic Na₂S₂O₃ was invoked as the sulfur-source, successfully avoiding the odor generation in the process of S-S bond formation. A wide range of substrate suitability and appropriate functional group tolerance were observed for the transformation. Notably, the approach reported here was compatible with various biomols. including glucose, coumarin, and quinolinone.

Advanced Synthesis & Catalysis published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C12H10F2Si, Synthetic Route of 620-20-2.

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

Rzuczek, Suzanne G. published the artcileFeatures of Modularly Assembled Compounds That Impart Bioactivity Against an RNA Target, Related Products of chlorides-buliding-blocks, the publication is ACS Chemical Biology (2013), 8(10), 2312-2321, database is CAplus and MEDLINE.

Transcriptomes provide a myriad of potential RNAs that could be the targets of therapeutics or chem. genetic probes of function. Cell-permeable small mols., however, generally do not exploit these targets, owing to the difficulty in the design of high affinity, specific small mols. targeting RNA. As part of a general program to study RNA function using small mols., we designed bioactive, modularly assembled small mols. that target the noncoding expanded RNA repeat that causes myotonic dystrophy type 1 (DM1), r-(CUG)^exp. Herein, we present a rigorous study to elucidate features in modularly assembled compounds that afford bioactivity. Different modular assembly scaffolds were investigated, including polyamines, α-peptides, β-peptides, and peptide tertiary amides (PTAs). On the basis of activity as assessed by improvement of DM1-associated defects, stability against proteases, cellular permeability, and toxicity, we discovered that constrained backbones, namely, PTAs, are optimal. Notably, we determined that r-(CUG)^exp is the target of the optimal PTA in cellular models and that the optimal PTA improves DM1-associated defects in a mouse model. Biophys. analyses were employed to investigate potential sources of bioactivity. These investigations show that modularly assembled compounds have increased residence times on their targets and faster on rates than the RNA-binding modules from which they were derived. Moreover, they have faster on rates than the protein that binds r-(CUG)^exp, the inactivation of which gives rise to DM1-associated defects. These studies provide information about features of small mols. that are programmable for targeting RNA, allowing for the facile optimization of therapeutics or chem. probes against other cellular RNA targets.

ACS Chemical Biology published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, Related Products of chlorides-buliding-blocks.

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

Wu, Zonghao published the artcileSynthesis of related substance of sorafenib tosylate, HPLC of Formula: 18585-06-3, the publication is Shandong Huagong (2016), 45(2), 37-39, 42, database is CAplus.

To perform the quality control of anticarcinogen drug sorafenib tosylate, five related substanceswere prepared, and their structures were confirmed by ¹H-NMR, ¹³C-NMR and ESI-MS. These substances were Et (4-((2-(methyl-carbamoyl) pyridin-4-yl) oxy) phenyl) carbamate (A), 4-chloro-3-(trifluoromethyl) aniline (B), Et (4-chloro-3-(trifluoromethyl) phenyl) carbamate (C), 1,3-bis(4-chloro-3-(trifluoromethyl) phenyl) urea (D), 4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)-N-Me picolinamide (E).

Shandong Huagong published new progress about 18585-06-3. 18585-06-3 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Amine,Benzene,Amide, name is Ethyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate, and the molecular formula is C6H8O4, HPLC of Formula: 18585-06-3.

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

Li, Xuefei published the artcileUsing Chlorotrifluoroethane for Trifluoroethylation of (Hetero)aryl Bromides and Chlorides via Nickel Catalysis, Application of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Organic Letters (2021), 23(4), 1400-1405, database is CAplus and MEDLINE.

A nickel-catalyzed reductive cross-coupling between industrial chem. CF₃CH₂Cl and (hetero)aryl bromides and chlorides was reported. The reaction was synthetically simple without the preparation of arylmetals and exhibits high functional group tolerance. The utility of this protocol was demonstrated by the late-stage modification of pharmaceuticals, providing a facile route for medicinal chem.

Organic Letters 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, Application of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

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

Kang, Tao published the artcileDesign, Synthesis, and SAR of Novel 1,3-Disubstituted Imidazolidine or Hexahydropyrimidine Derivatives as Herbicide Safeners, Related Products of chlorides-buliding-blocks, the publication is Journal of Agricultural and Food Chemistry (2021), 69(1), 45-54, database is CAplus and MEDLINE.

Herbicide safeners enhance herbicide detoxification in crops without reducing their herbicidal efficacy against target weeds. To alleviate maize injury caused by the sulfonylurea herbicide nicosulfuron, a series of 1,3-disubstituted imidazolidine or hexahydropyrimidine derivatives were rationally designed via bioisosterism and active subunit combinations. Thirty novel compounds were synthesized using an efficient one-pot method and low-cost raw materials and characterized by IR, ¹H NMR, ¹³C NMR, and high-resolution mass spectrometer (HRMS). Bioactivity and structure-activity relationship (SAR) were evaluated for herbicide safeners tested against nicosulfuron injury. Most of the compounds effectively protected sensitive maize against nicosulfuron damage. The parent skeletons and substituents of the target compounds both substantially influenced their safener activity. Compound (I) exhibited superior bioactivity compared to the safener isoxadifen-Et. Mol. docking simulations disclosed that compound I competed with nicosulfuron for the acetolactate synthase active site and demonstrated that this is the protective mechanism of safeners. The target compound I presented with strong herbicide safener activity in maize and is, therefore, a potential candidate for the development of a novel herbicide safener.

Journal of Agricultural and Food Chemistry published new progress about 3919-74-2. 3919-74-2 belongs to chlorides-buliding-blocks, auxiliary class Isoxazole,Fluoride,Chloride,Carboxylic acid,Benzene, name is 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, and the molecular formula is C11H7ClFNO3, Related Products of chlorides-buliding-blocks.

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

Zhu, Yuting published the artcileAntidiabetic activity and metabolite profiles of ascidian Halocynthia roretzi, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Journal of Functional Foods (2022), 105095, database is CAplus.

Halocynthia roretzi has been cultured and utilized as a nutritious seafood in Southeastern Asia for many years because of its abundance active mols. Here, we reported that feeding of H. roretzi tissues resulted in improving oral glucose tolerance in rats. To screen the active components, we identified 950 chem. compounds from H. roretzi metabolome. Furthermore, 11 mols. with the activity of regulating blood glucose and lipids were selected based on structural identity. Among them, two natural products, hesperetin and astaxanthin were selected for further quant. detection. The results showed that concentrations of hesperetin and astaxanthin in the tissues of H. roretzi were calculated to be 13.7 ± 9.5 and 167.9 ± 48.4μg/100 g, resp. The high content of astaxanthin in H. roretzi indicates its potential roles and functions in anti-diabetes activity. Taken together, our results showed that H. roretzi could be used as a functional food supplement for regulating lipid/glucose metabolism

Journal of Functional Foods 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 C15H23BO2, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

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

Roedig, Alfred published the artcilePolyhalogenated bicyclo[4.2.0]octa-1,5,7-trienes. IX. Synthesis and cyclodimerization of 1,2,4-trichloro-1-phenyl-1-buten-3-yne, Synthetic Route of 866-23-9, the publication is Liebigs Annalen der Chemie (1981), 1685-92, database is CAplus.

(Z)-(I) and (E)-PhCCl:CClCCCl (II) were prepared from (Z)- and (E)-PhCCl:CClCHO, resp., via PhCCl:CClCH:CCl₂ or PhCCl:CClCH(OH)CHCl₂ and PhCCl:CClCH(OSO₂C₆H₄Me-4)CHCl₂. (Z)-PhCCl:CClCCBr was prepared from (Z)-PhCCl:CClCHO via (Z)-PhCCl:CClCH:CBr₂. In preparing (Z)-ClC(C₆Cl₅):CClCCCl, the Ph group in (Z)-PhCCl:CClCHClCHCl₂ was perchlorinated by Ballester reagent to give intermediate (Z)-ClC(C₆Cl₅):CClCHClCHCl₂. I and II dimerized slowly with partial decomposition in boiling hexane. The primary dimer III was unobtainable; only the pyrolysis product IV (Z = Cl₂) was isolated, 7% from I and 40% yield from II. Hydrolyzing IV (Z = Cl₂) gave IV (Z = O).

Liebigs Annalen der Chemie 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, Synthetic Route of 866-23-9.

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

Roedig, Alfred published the artcilePolyhalogenated bicyclo[4.2.0]octa-1,5,7-trienes. VIII. Synthesis and cyclodimerization of polyhalogenated 2-phenyl- and 2-pentachlorophenyl substituted butenynes, Computed Properties of 866-23-9, the publication is Liebigs Annalen der Chemie (1981), 1674-84, database is CAplus.

Cyclodimerization of phenylbutenynes gave bicyclooctatrienes. Cl₂C:CPhCCCl was prepared by 3 methods from Cl₂C:CPhCHO, which was also converted into Cl₂C:CPhCCBr via Cl₂C:CPhCH:CBr₂. Cl₂C:CPhC:CCl was also prepared by a less suitable route, from PhCOCH:CCl₂. Cl₂C:C(C₆Cl₅)CCCl was prepared in 4 steps from Cl₂C:CPhCHO via perchlorination of Cl₂C:CPhCHClCHCl₂ to Cl₂C:C(C₆Cl₅)CHClCHCl₂ with the Ballester reagent. Cyclodimerization of the chlorobutenynes Cl₂C:CRCCR¹ (R = Ph, R¹ = Cl, Br; R = C₆Cl₅, R¹ = Cl) gave bicyclooctatrienes I. Prolonged heating gave II (R = Ph, R¹ = Cl, Br), but Cl₂C:C(C₆Cl₅)CCCl rearranged into II (R = C₆Cl₅, R¹ = Cl) even in the solid state in several days. Hydrolysis of II gave bicyclotrienediones III.

Liebigs Annalen der Chemie 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, Computed Properties of 866-23-9.

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

Mahindra, Amit published the artcileAntiplasmodial activity of short peptide-based compounds, COA of Formula: C19H14Cl2, the publication is RSC Advances (2015), 5(29), 22674-22684, database is CAplus.

Three series of short peptide-based compounds were synthesized, which upon evaluation against chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum in vitro, produced IC₅₀ values ranging between 1.4-4.7 μg mL^-1. Importantly, higher antimalarial activity against the drug-resistant strain of P. falciparum (W2) was observed for the tested peptides, indicating their potential in the treatment of drug-resistant malaria parasites. The lack of cytotoxicity in all tested peptides provides evidence of their safety profile. The selected peptides were evaluated in an enzymic inhibitory assay against plasmepsin II, a potential target for antiplasmodial activity, also indicated from the results of the mol. docking studies.

RSC Advances published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, COA of Formula: C19H14Cl2.

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

Cannon, Joseph G. published the artcileVinyl ethers of choline and congeners, COA of Formula: C5H13Cl2N, the publication is Journal of Medicinal Chemistry (1976), 19(7), 934-7, database is CAplus and MEDLINE.

The vinyl ethers of choline and of its α- and β-methyl homologs were prepared to determine their cholinergic effects and to determine whether a separation of the dual physiol. activity (nicotinic and muscarinic) reported for the choline vinyl ether iodide [24586-04-7] could be achieved by this modification. A literature method of vinyl transetherification of amino alcs. was studied and modified. (±)-2-(Dimethylamino)-1-propyl vinyl ether methiodide [59309-74-9] was prepared by vinyl transetherification of 2-dimethylamino-1-propanol [15521-18-3]. However, when this procedure was attempted on 1-dimethylamino-2-propanol [108-16-7], only a 4% yield of the vinyl ether was obtained. (±)-1-(Dimethylamino)-2-propyl vinyl ether methiodide [59276-15-2] was prepared by Hofmann degradation of (±)-2,4-dimethylmorpholine methiodide [59229-59-3]. Two independent, unequivocal syntheses of the (±)-1-(dimethylamino)2-propyl ethyl ether methiodide [99159-81-6] have been accomplished. The 2 literature methods for synthesis of this compound were found to be equivocal, and therefore, the biol. data previously reported for this compound may not be valid. Structure activity relationships of the ethers with respect to nicotinic and muscarinic activities are discussed.

Journal of Medicinal Chemistry published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, COA of Formula: C5H13Cl2N.

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