Month: November 2022

Maya, Francisco published the artcileSynthesis of Fluorinated Oligomers toward Physical Vapor Deposition Molecular Electronics Candidates, Safety of 4-Iodo-3-nitroaniline, the main research area is fluorinated oligomer thiol nitrile pyridine chemisorption gold platinum; safety deprotection thioacetate.

New electron-deficient fluorinated oligo(phenylene ethynylenes) (OPEs) with varied functional groups were synthesized as free thiols, nitriles, and pyridines, ready to be used for surface adhesion. Calculated dipole moments suggest better matching between energy levels of bulk interfaces and mol. frontier orbitals when compared to nonfluorinated OPEs. Differential scanning calorimetry confirmed a higher thermal stability than the nonfluorinated counterparts. Surface anal. by ellipsometry, contact angle goniometry, cyclic voltammetry, and surface IR and XPS verified that the OPEs chemisorb on Au and Pt surfaces. On the basis of the phys. properties of the fluorinated OPEs, they might be useful in future phys. vapor deposition techniques, methods that are typically used in standard semiconductor fabrication processes. Safety: deprotection of a thioacetate derivative led to a violent explosion.

Chemistry of Materials published new progress about Differential scanning calorimetry (of fluorinated oligo(phenylene ethynylenes)). 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Safety of 4-Iodo-3-nitroaniline.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Lu, Xi published the artcilePractical carbon-carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation, Application In Synthesis of 939759-26-9, the main research area is carbon bond formation nickel catalyst chemoselective regioselective olefin hydrocarbonation.

A general process for the intermol. reductive coupling of unactivated olefins with alkyl or aryl electrophiles under the promotion of a simple nickel catalyst system was reported. This new reaction presented a conceptually unique and practical strategy for the construction of C(sp2)-C(sp3) and C(sp3)-C(sp3) bonds without using any organometallic reagent. The reductive olefin hydrocarbonation also exhibited excellent compatibility with varieties of synthetically important functional groups and therefore, provided a straightforward approach for modification of complex organic mols. containing olefin groups.

Nature Communications published new progress about C-C bond formation. 939759-26-9 belongs to class iodides-buliding-blocks, name is Benzyl 3-iodoazetidine-1-carboxylate, and the molecular formula is C11H12INO2, Application In Synthesis of 939759-26-9.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Cawood, Emma E. published the artcileModulation of amyloidogenic protein self-assembly using tethered small molecules, Recommanded Product: 2-Fluoro-4-iodonicotinic acid, the main research area is amyloidogenic protein self assembly intermediate structure tethered small mol; human beta 2 microglobulin variant aggregation intermediate structure.

Protein-protein interactions (PPIs) are involved in many of life’s essential biol. functions yet are also an underlying cause of several human diseases, including amyloidosis. The modulation of PPIs presents opportunities to gain mechanistic insights into amyloid assembly, particularly through the use of methods which can trap specific intermediates for detailed study. Such information can also provide a starting point for drug discovery. Here, we demonstrate that covalently tethered small mol. fragments can be used to stabilize specific oligomers during amyloid fibril formation, facilitating the structural characterization of these assembly intermediates. We exemplify the power of covalent tethering using the naturally occurring truncated variant (ΔN6) of the human protein β2-microglobulin (β2m), which assembles into amyloid fibrils associated with dialysis-related amyloidosis. Using this approach, we have trapped tetramers formed by ΔN6 under conditions which would normally lead to fibril formation and found that the degree of tetramer stabilization depends on the site of the covalent tether and the nature of the protein-fragment interaction. The covalent protein-ligand linkage enabled structural characterization of these trapped, off-pathway oligomers using X-ray crystallog. and NMR, providing insight into why tetramer stabilization inhibits amyloid assembly. Our findings highlight the power of “”post-translational chem. modification”” as a tool to study biol. mol. mechanisms.

Journal of the American Chemical Society published new progress about Amyloid fibril. 884494-51-3 belongs to class iodides-buliding-blocks, name is 2-Fluoro-4-iodonicotinic acid, and the molecular formula is C6H3FINO2, Recommanded Product: 2-Fluoro-4-iodonicotinic acid.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Forschner-Dancause, Stephanie published the artcileQuorum sensing inhibition and structure-activity relationships of β-keto esters, Recommanded Product: Ethyl 3-(4-iodophenyl)-3-oxopropanoate, the main research area is keto ester structure quorum sensing inhibition; Vibrio harveyi; quorum sensing inhibition; β-keto esters.

A panel of 19 β-keto ester analogs was tested for the inhibition of bioluminescence (a quorum sensing-controlled phenotype) in the marine pathogen Vibrio harveyi. Initial screening demonstrated the need of a Ph ring at the C-3 position for antagonistic activity. Further additions to the Ph ring with 4-substituted halo groups or a 3- or 4-substituted methoxy group resulted in the most active compounds with IC50 values ranging 23-53μM. The compounds addnl. inhibit green fluorescent protein production by Escherichia coli JB525. Evidence is presented that aryl β-keto esters may act as antagonists of bacterial quorum sensing by competing with N-acyl homoserine lactones for receptor binding. Expansion of the β-keto ester panel will enable us to obtain more insight into the structure-activity relations needed to allow for the development of novel anti-virulence agents.

Molecules published new progress about Quorum sensing. 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, Recommanded Product: Ethyl 3-(4-iodophenyl)-3-oxopropanoate.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Menozzi, Giulia published the artcileRational design, synthesis and biological evaluation of new 1,5-diarylpyrazole derivatives as CB1 receptor antagonists, structurally related to rimonabant, Safety of Ethyl 3-(4-iodophenyl)-3-oxopropanoate, the main research area is diarylpyrazole rimonabant regioisomer preparation mol modeling cannabinoid receptor antagonism.

Among cannabinoid type-1 (CB1) receptor antagonists, those developed around the 1,5-diarylpyrazole scaffold of rimonabant (I, Acomplia) are the most extensively investigated. In recent years, many SAR and QSAR reports on this topic have been published, focusing on the substitution and orientation of the N1 and C5 aryl functionalities and on the substituents at the 3-carboxamide position. In this context, the purpose of our study was to design and synthesize a set of 1-(2,4-dichlorophenyl)-5-arylpyrazoles strictly related to rimonabant, but with the hydrazide/amide group shifted from position 3 to position 4 of the pyrazole scaffold. The synthesized compounds were evaluated in vitro for their affinity on human CB1 and CB2 (cannabinoid type-2) receptors. Computational studies, performed both in the design step and after biol. assays, contributed to rationalize the obtained results in terms of specific mol. interactions between antagonists and the human CB1 receptor.

European Journal of Medicinal Chemistry published new progress about Cannabinoid receptor 2 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (antagonists). 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, Safety of Ethyl 3-(4-iodophenyl)-3-oxopropanoate.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Lei published the artcileEffect of the 3-halo substitution of the 2′-deoxy aminopyridinyl-pseudocytidine derivatives on the selectivity and stability of antiparallel triplex DNA with a CG inversion site, SDS of cas: 25391-56-4, the main research area is deoxyaminopyridinyl pseudocytidine halo derivative antiparallel triplex DNA CG inversion; Antiparallel triplex DNA; Artificial nucleoside analogue; Inversion site; Non-natural type triplex DNA.

Triplex formation against a target duplex DNA has the potential to become a tool for genome research. However, there is an intrinsic restriction on duplex DNA sequences capable of forming the triplex DNA. Recently, we demonstrated the selective formation of the stable antiparallel triplexes containing CG inversion sites using a 2′-deoxy-1-methylpseudocytidine derivative (ΨdC), whose amino group was conjugated with the 2-aminopyridine at its 5-position as an addnl. H-bonding unit (AP-ΨdC). The 1-N position of 2-aminopyridine was supposed to be protonated to form the H-bond with the guanine of the CG inversion site. Here, to test the effect of the 3-substitution of the 2-aminopyridine unit of AP-ΨdC on triplex stability, we synthesized 3-halogenated 2-aminopyridine derivatives of AP-ΨdC. The pKa values of the 1-N position of the 2-aminopyridine unit of AP-ΨdC as the monomer nucleoside were determined to be 6.3 for 3-CH3 (MeAP-ΨdC), 6.1 for 3-H (AP-ΨdC), 4.3 for 3-Cl (ClAP-ΨdC), 4.4 for 3-Br (BrAP-ΨdC), and 4.7 for 3-I (IAP-ΨdC), suggesting that all of the halogenated AP-ΨdCs are not protonated under neutral conditions. Interestingly, although the recognition selectivity depends on the sequence context, the triplex-forming oligodeoxyribonucleotides (TFOs) having the sequence of the 3′-G-(IAP-ΨdC)-A-5′ context showed selective triplex formation with the CG inversion site. These results suggest that the protonation at the 1-N position plays an important role in the stable and selective triplex formation of AP-ΨdC derivatives in any sequences.

Bioorganic & Medicinal Chemistry published new progress about GC content. 25391-56-4 belongs to class iodides-buliding-blocks, name is 3-Iodo-5-nitropyridin-2-amine, and the molecular formula is C5H4IN3O2, SDS of cas: 25391-56-4.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Song, Gui-Ting published the artcileSynthesis of monofluorooxazoles with quaternary C-F centers through photoredox-catalyzed radical addition of methylene-2-oxazolines, Application In Synthesis of 63131-30-6, the main research area is monofluorooxazole quaternary carbon fluorine center preparation; bromo fluoro oxoarylpropionate preparation methylene oxazoline radical addition photocatalyst.

A novel photoredox-catalyzed radical addition of methylene-2-oxazolines I (R = Ph, hexyl, cyclohexyl, thiophen-2-yl, etc.) has been developed under visible light irradiation to synthesize monofluorooxazoles II (R1 = Ph, furan-2-yl, 3-methylphenyl, etc.) with a quaternary carbon center using 2-bromo-2-fluoro-3-oxo-3-phenylpropionates R1C(O)C(F)(Br)C(O)OEt as radical source. This method with a simple protocol, scalability and high yield offers a facile path to get diverse monofluorinated oxazoles II with quaternary C-F centers, which are a class of highly valuable motifs and synthons.

Organic & Biomolecular Chemistry published new progress about Photochemical redox reaction. 63131-30-6 belongs to class iodides-buliding-blocks, name is Ethyl 3-(4-iodophenyl)-3-oxopropanoate, and the molecular formula is C11H11IO3, Application In Synthesis of 63131-30-6.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Parmar, Dixit published the artcileIron catalysed cross-couplings of azetidines – application to the formal synthesis of a pharmacologically active molecule, Formula: C11H12INO2, the main research area is iron catalyzed coupling azetidine Grignard reagent; azetidine pharmacol active agent preparation CNS disorder.

A protocol for the coupling of 3-iodoazetidines with Grignard reagents in the presence of an iron catalyst has been developed. A variety of aryl, heteroaryl, vinyl and alkyl Grignards were shown to participate in the coupling process to give the products in good to excellent yields. Furthermore, a short formal synthesis towards a pharmacol. active mol. was shown.

Chemical Communications (Cambridge, United Kingdom) published new progress about Central nervous system disease. 939759-26-9 belongs to class iodides-buliding-blocks, name is Benzyl 3-iodoazetidine-1-carboxylate, and the molecular formula is C11H12INO2, Formula: C11H12INO2.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Qiu, Zhenjiang published the artcileRegioselective α-benzylation of 3-iodoazetidines via Suzuki cross-coupling, Computed Properties of 939759-26-9, the main research area is benzyl azetidine preparation regioselective; iodoazetidine benzylboronic acid pinacol ester benzylation Suzuki palladium catalyst.

An efficient protocol for the synthesis of α-benzyl azetidines I [R = 4-F3COC6H4, 2-F-C6H4, naphthalen-2-yl, etc.; R1 = C(O)OCH2C6H5, C(O)OC(CH3)3] starting from benzylboronic acid pinacol ester derivatives II and 3-iodoazetidine III was developed. A wide range of α-benzyl azetidine derivatives I was obtained in moderate to good yields with high regioselectivity (>99%).

Tetrahedron Letters published new progress about Benzylation catalysts (regioselective). 939759-26-9 belongs to class iodides-buliding-blocks, name is Benzyl 3-iodoazetidine-1-carboxylate, and the molecular formula is C11H12INO2, Computed Properties of 939759-26-9.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Mothes, Celine published the artcileAmino-zinc-ene-enolate cyclization: A short access to cis-3-substituted prolino-homotryptophane derivatives, Category: iodides-buliding-blocks, the main research area is proline substituted asym synthesis amino zinc enolate cyclization AZEE; prolinohomotryptophane chimera asym synthesis AZEE cyclization; enolate cyclization transmetalation iodination protection Negishi cross coupling indole.

Proline chimeras are useful tools for medicinal chem. and/or biol. applications. The asym. synthesis of cis-3-substituted prolines can be easily achieved via amino-zinc-ene-enolate cyclization followed by transmetalation of the cyclic zinc intermediate for further functionalization. Syntheses of prolino-homotryptophane derivatives were achieved through Negishi cross-coupling of the zinc intermediate with indole rings. The use of Pd catalyst derived from Fu’s [(t-Bu3)PH]-BF4 was required to avoid the undesired β-hydride elimination. Optically pure and orthogonally protected compounds were obtained readily usable for peptide synthesis.

Journal of Organic Chemistry published new progress about Cross-coupling reaction (Negishi). 1048039-49-1 belongs to class iodides-buliding-blocks, name is tert-Butyl 5-chloro-3-iodo-1H-indole-1-carboxylate, and the molecular formula is C13H13ClINO2, Category: iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com