Month: December 2022

Safakish, Mahdieh published the artcileNovel Benzoxazin-3-one Derivatives: Design, Synthesis, Molecular Modeling, Anti-HIV-1 and Integrase Inhibitory Assay, Related Products of chlorides-buliding-blocks, the publication is Medicinal Chemistry (Sharjah, United Arab Emirates) (2020), 16(7), 938-946, database is CAplus and MEDLINE.

Integrase is a validated drug target for anti-HIV-1 therapy. The second generation integrase inhibitors display π-stacking interaction ability with 3′-end nucleotide as a streamlined metal chelating pharmacophore. In this study, we introduced benzoxazin-3-one scaffold for integrase inhibitory potential as bioisostere replacement strategy of 2-benzoxazolinone. Mol. modeling studies revealed that amide functionality alongside oxadiazole heteroatoms and sulfur in the second position of oxadiazole ring could mimic the metal chelating pharmacophore. The halobenzyl ring occupies hydrophobic site created by the cytidylate nucleotide (DC-16). The most potent and selective compound displayed 110μM IC₅₀ with a selectivity index of more than 2.

Medicinal Chemistry (Sharjah, United Arab Emirates) 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 C7H6Cl2, Related Products of chlorides-buliding-blocks.

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

Gabor, Krisztina published the artcileDivergent roles of CprK paralogs from Desulfitobacterium hafniense in activating gene expression, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Microbiology (Reading, United Kingdom) (2008), 154(12), 3686-3696, database is CAplus and MEDLINE.

Gene duplication and horizontal gene transfer play an important role in the evolution of prokaryotic genomes. We have investigated the role of three CprK paralogs from the cAMP receptor protein-fumarate and nitrate reduction regulator (CRP-FNR) family of transcriptional regulators that are encoded in the genome of Desulfitobacterium hafniense DCB-2 and possibly regulate expression of genes involved in the energy-conserving terminal reduction of organohalides (halorespiration). The results from in vivo and in vitro promoter probe assays show that two regulators (CprK1 and CprK2) have an at least partially overlapping effector specificity, with preference for ortho-chlorophenols, while meta-chlorophenols proved to be effectors for CprK4. The presence of a potential transposase-encoding gene in the vicinity of the cprK genes indicates that their redundancy is probably caused by mobile genetic elements. The CprK paralogs activated transcription from promoters containing a 14 bp inverted repeat (dehalobox) that closely resembles the FNR-box. We found a strong neg. correlation between the rate of transcriptional activation and the number of nucleotide changes from the optimal dehalobox sequence (TTAAT-N₄-ATTAA). Transcription was initiated by CprK4 from a promoter that is situated upstream of a gene encoding a methyl-accepting chemotaxis protein. This might be the first indication of taxis of an anaerobic bacterium to halogenated aromatic compounds

Microbiology (Reading, United Kingdom) 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, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Wang, Gren Z. published the artcileCCR2 receptor antagonists: Optimization of biaryl sulfonamides to increase activity in whole blood, Synthetic Route of 32333-53-2, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(24), 7291-7294, database is CAplus and MEDLINE.

A series of N,S-diarylsulfonamides was identified as hCCR2 receptor antagonists but suffered from high plasma protein binding resulting in a >100 fold shift in activity in a functional GTPγS assay run in tandem in the presence and absence of human serum albumin. Introduction of an aryl amide with ethylenediamine linker led to compounds with reduced shifts and improved activity in whole blood.

Bioorganic & Medicinal Chemistry Letters published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C9H20Cl2Si, Synthetic Route of 32333-53-2.

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

Kiran, Sonia published the artcileAlkaline phosphatase-triggered assembly of etoposide enhances its anticancer effect, Recommanded Product: 2-Chlorotrityl chloride, the publication is Chemical Communications (Cambridge, United Kingdom) (2018), 54(15), 1853-1856, database is CAplus and MEDLINE.

Etoposide is a cancer-targeting drug but an overdose of etoposide leads to immunosuppression in patients. Therefore, the development of a new strategy to enhance its anticancer effect, while in the meantime alleviating its adverse effects, is important but challenging. In this work, with the assistance of a hydrogelator precursor Nap-Phe-Phe-Tyr(H₂PO₃)-OH (1P), etoposide phosphate (EP) was subjected to alk. phosphatase (ALP)-triggered assembly, which obviously enhanced its anticancer efficacy in vitro and in vivo. In vitro tests indicated that the assembly of EP with 1P resulted in a slow release of etoposide and long-term inhibitory effects on HeLa cells. In vivo experiments indicated that, compared with those of EP-treated mice, the tumor growth of EP + 1P-treated mice was further inhibited while their body weight loss was alleviated. We envision that our hydrogelator-assisted assembly strategy could be applied to enhance the therapeutic effects of more drugs, while in the meantime alleviating their adverse effects in the future.

Chemical Communications (Cambridge, United Kingdom) 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, Recommanded Product: 2-Chlorotrityl chloride.

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

Mekala, Shekar published the artcileA Scalable, Nonenzymatic Synthesis of Highly Stereopure Difunctional C₄ Secondary Methyl Linchpin Synthons, Synthetic Route of 21286-54-4, the publication is Journal of Organic Chemistry (2015), 80(3), 1610-1617, database is CAplus and MEDLINE.

In response to the continuing widespread use of heterodifunctional C₄ secondary Me building blocks in asym. synthesis, we have developed a mole-scale, two-step synthesis of a 1:1 mixture of the diastereomers of 3-bromo-2-methyl-1-Pr camphorsulfonate (casylate). One isomer I has been crystallized to >99:1 dr in âˆ?5% yield. Equilibration of the mother liquor (enriched in the other isomer) to a 1:1 mixture and recrystallization significantly raises the overall yield of I. Applications of I include chemoselective Grignard coupling, enabling the very short synthesis of highly stereopure long-chain natural products containing remote, methyl-bearing stereogenic centers [e.g., (R)-tuberculostearic acid (II)], with complete control of configuration. Also, Ag-mediated, completely chemoselective Br displacement from I leads to a range of >99:1 er difunctional synthons. Both applications incorporate concurrent recovery of CasO. The enantiomer of I can be made from com. (1R)-10-CasOH.

Journal of Organic Chemistry 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, Synthetic Route of 21286-54-4.

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

Peyrovedin, Hamed published the artcileA global model for the estimation of speeds of sound in deep eutectic solvents, Related Products of chlorides-buliding-blocks, the publication is Molecules (2020), 25(7), 1626, database is CAplus and MEDLINE.

Deep eutectic solvents (DESs) are newly introduced green solvents that have attracted much attention regarding fundamentals and applications. Of the problems along the way of replacing a common solvent by a DES, is the lack of information on the thermophys. properties of DESs. This is even more accentuated by considering the dramatically growing number of DESs, being made by the combination of vast numbers of the constituting substances, and at their various molar ratios. The speed of sound is among the properties that can be used to estimate other important thermodn. properties. In this work, a global and accurate model is proposed and used to estimate the speed of sound in 39 different DESs. This is the first general speed of sound model for DESs. The model does not require any thermodn. properties other than the critical properties of the DESs, which are themselves calculated by group contribution methods, and in doing so, make the proposed method entirely independent of any exptl. data as input. The results indicated that the average absolute relative deviation percentages (AARD%) of this model for 420 exptl. data is only 5.4%. Accordingly, based on the achieved results, the proposed model can be used to predict the speeds of sound of DESs.

Molecules published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Related Products of chlorides-buliding-blocks.

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

Crook, James W. published the artcileBehavior of halogen-containing phosphates and phosphonates in urethane foam, COA of Formula: C5H10Cl3O3P, the publication is Journal of Cellular Plastics (1969), 5(2), 119-22, database is CAplus.

(ClCH2CH2CH2O)3P:O (I) was as effective as (ClCH2CH2O)3P:O (II) as a flame-retardant in urethane foam, but had a lower chem. reactivity than II and thus caused less scorch. Foam was prepared from oxypropylated glycerol 100, II 10, (C7H15CO2)2Sn 0.5, triethylenediamine 0.1, H2O 3.5, siloxane-oxyalkylene copolymer 1.0, and tolylene diisocyanate 45.4 parts. Prior to aging, 90% phosphate could be removed by extraction with boiling C6H6. After aging 48 hrs. at 140°, only 1.7% of the original P content could be extracted by boiling C6H6. Extraction with boiling 1:1 aqueous EtOH removed 78% of the P, and the extract was strongly acidic. The strongly acidic products formed during foam making were responsible for scorch. Heating 220 g. II at 150° for 105 hrs. under N gave 3 g. ClCH2CH2Cl (III). When 57.1 g. II and 15.9 g. N,N’-diphenylurea (IV) were heated at 150° under N for 48 hrs., the products isolated were III 17.6, 1,3-diphenyl-2-imidazolidone (m. 211-13°) 3.6, and N,N’-diphenylpiperazine (m. 165.5-7.6°) 5.4 g. The mechanism of the reaction rates of (BrCH2CH2CH2O)3P:O, I, Cl3CP(O)(OEt)2 (Kosolapoff, 1947), BrCH2CH2CH2P(O)(OEt)2 (prepared according to Eberhard, 1965), (ClCH2CHClCH2O)3P:O, and (BrCH2CHBrCH2O)3P:O with IV were compared. I was the least reactive. I showed greater hydrolytic stability than II and was less reactive toward bases. Foams were prepared using Daltocel SF polyester containing I or II and the fire-retardancy was similar according to ASTM D 1692-59T.

Journal of Cellular Plastics 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

Reheim, Mohamed Ahmed Mahmoud Abdel published the artcileA simple and convenient synthesis of isolated fused heterocycles based on: 6-phenyl-2-thioxo-2,3- dihydropyrimidin-4(5H)-one and 5-acetyl-6-phenyl-2- thioxo-2,3-dihydropyrimidin-4(5H)-one, Category: chlorides-buliding-blocks, the publication is Heterocycles (2016), 92(8), 1397-1414, database is CAplus.

The reaction of 6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(5H)-one with acetyl chloride in acetic anhydride in the presence of sodium acetate afforded 5-acetyl-6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(5H)-one which was reacted with bromine, hydrazine hydrate, phenylhydrazine, cyanothioacetamide, aldehydes ArCHO (Ar = Ph, 4-chlorophenyl, 4-methoxyphenyl) and (malononitrile/sulfur) to give 2-thioxo-2,3-dihydropyrimidine derivatives, e.g., I. In the present investigation 6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(5H)-one was reacted with chloroacetyl chloride to yield the corresponding compound 5-(2-chloroacetyl)-6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(5H)-one. Compound 6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(5H)-one was reacted with some electrophilic reagents such as benzylidene-cyanothioacetamide derivatives, 2-cyano-2-cyclopentylethanethioamide, 2-cyano-2-cyclohexyl-ethanethioamide and aromatic diazonium salts Ar¹N₂⁺Cl^– to give compounds, e.g., II (X = CH₂, CH₂CH₂). The newly synthesized heterocycles were characterized on the basis of their chem. properties and spectral data.

Heterocycles published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Category: chlorides-buliding-blocks.

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

Wang, De published the artcileTerpolymers from Borane-Initiated Copolymerization of Triphenyl Arsonium and Sulfoxonium Ylides: An Unexpected Light Emission, Formula: C19H34ClN, the publication is Angewandte Chemie, International Edition (2019), 58(19), 6295-6299, database is CAplus and MEDLINE.

The first synthesis of well-defined poly[(phenylmethylene-co-methylpropenylene)-b-methylene, [(C1-co-C3)-b-C1], terpolymers was achieved by one-pot borane-initiated random copolymerization of ω-methylallyl (C3 units, chain is growing by three carbon atoms at a time) and benzyltriphenylarsonium (C1 units, chain is growing by one carbon atom at a time) ylides, followed by polymerization of sulfoxonium methylide (C1 units). Other substituted arsonium ylides, such as prenyltriphenyl, propyltriphenyl and (4-fluorobenzyl)triphenyl can also be used instead of benzyltriphenylarsonium. The obtained terpolymers are well-defined, possess a predictable mol. weight and low polydispersity (M_n,NMR=1.83-9.68×10³ g mol^-1, D=1.09-1.22). An unexpected light emission phenomenon was discovered in these non-conjugated terpolymers, as confirmed by fluorescence and NMR spectroscopy. This phenomenon can be explained by the isomerization of the double bonds of allylic monomeric units along the chain of the terpolymers (isomerization-induced light emission).

Angewandte Chemie, International Edition published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C10H10O2, Formula: C19H34ClN.

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

Alkayal, Nazeeha published the artcileWell-defined polymethylene-based block co/terpolymers by combining anthracene/maleimide Diels-Alder reaction with polyhomologation, Category: chlorides-buliding-blocks, the publication is Polymer Chemistry (2015), 6(27), 4921-4926, database is CAplus.

A novel strategy towards well-defined polymethylene-based co/terpolymers, by combining the anthracene/maleimide Diels-Alder reaction with polyhomologation, is presented. For the synthesis of diblock copolymers the following approach was applied: (a) synthesis of α-anthracene-ω-hydroxy-polymethylene by polyhomologation using tri(9-anthracene-Me Pr ether)borane as the initiator, (b) synthesis of furan-protected-maleimide-terminated poly(ε-caprolactone) or polyethylene glycol and (c) the Diels-Alder reaction between the anthracene and maleimide-terminated polymers. In the case of triblock terpolymers the α-anthracene-ω-hydroxy-polymethylene was used as a macroinitiator for the ring-opening polymerization of D, L – lactide to afford an anthracene-terminated PM-b-PLA copolymer, followed by the Diels-Alder reaction with furan-protected maleimide-terminated poly (ε-caprolactone) or polyethylene glycol to give the triblock terpolymers. All the intermediates and final products were characterized by SEC, ¹H NMR, UV-VIS spectroscopy and DSC.

Polymer 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, Category: chlorides-buliding-blocks.

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