Category: iodides-buliding-blocks

The use of biochemical and biophysical tools for triage of high-throughput screening hits – a case study with Escherichia coli phosphopantetheine adenylyltransferase was written by Miller, J. Richard;Thanabal, Venkataraman;Melnick, Michael M.;Lall, Manjinder;Donovan, Charles;Sarver, Ronald W.;Lee, Doh-Yeel;Ohren, Jeff;Emerson, Don. And the article was included in Chemical Biology & Drug Design in 2010.Recommanded Product: 20776-54-9 This article mentions the following:

High-throughput screening is utilized by pharmaceutical researchers and, increasingly, academic investigators to identify agents that act upon enzymes, receptors, and cellular processes. Screening hits include mols. that specifically bind the target and a greater number of non-specific compounds It is necessary to ‘triage’ these hits to identify the subset worthy of further exploration. As part of our antibacterial drug discovery effort, we applied a suite of biochem. and biophys. tools to accelerate the triage process. We describe application of these tools to a series of 9-oxo-4,9-dihydropyrazolo[5,1-b]quinazoline-2-carboxylic acids (PQ) hits from a screen of Escherichia coli phosphopantetheine adenylyltransferase (PPAT). Initial confirmation of specific binding to phosphopantetheine adenylyltransferase was obtained using biochem. and biophys. tools, including a novel orthogonal assay, isothermal titration calorimetry, and saturation transfer difference NMR. To identify the phosphopantetheine adenylyltransferase sub-site bound by these inhibitors, two techniques were utilized: steady-state enzyme kinetics and a novel ¹⁹F NMR method in which fluorine-containing fragments that bind the ATP and/or phosphopantetheine sites serve as competitive reporter probes. These data are consistent with PQs binding the ATP sub-site. In addition to identification of a series of PPAT inhibitors, the described hit triage process is broadly applicable to other enzyme targets in which milligram quantities of purified target protein are available. In the experiment, the researchers used many compounds, for example, 2-Amino-4-iodobenzoic acid (cas: 20776-54-9Recommanded Product: 20776-54-9).

2-Amino-4-iodobenzoic acid (cas: 20776-54-9) belongs to iodide derivatives. In general, organic iodides are light-sensitive and turn yellow during storage, owing to the formation of iodine. A typical method for synthesis of aromatic iodides is diazotization of primary aromatic amines followed by treatment of potassium iodide. Aliphatic alcohols are converted to alkyl iodides by treating with hydrogen iodide.Recommanded Product: 20776-54-9

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

Regioirregular and catalytic Mizoroki-Heck reactions was written by Garnes-Portoles, Francisco;Greco, Rossella;Oliver-Meseguer, Judit;Castellanos-Soriano, Jorge;Consuelo Jimenez, M.;Lopez-Haro, Miguel;Hernandez-Garrido, Juan Carlos;Boronat, Mercedes;Perez-Ruiz, Raul;Leyva-Perez, Antonio. And the article was included in Nature Catalysis in 2021.Computed Properties of C7H6FIO This article mentions the following:

Here, the ligand-free, few-atom palladium clusters in solution catalyze the α-selective intramol. Mizoroki-Heck coupling of iodoaryl cinnamates, and mechanistic studies support the formation of a sterically encumbered cinnamate-palladium cluster intermediate was showed. Following this rationale, the α-selective intermol. coupling of aryl iodides with styrenes was also achieved with palladium clusters encapsulated within fine-tuned and sterically restricted zeolite cavities to produce 1,1-bisarylethylenes, which are further engaged with aryl halides by a metal-free photoredox-catalyzed coupling. These ligand-free methodologies significantly expand the chem. space of the Mizoroki-Heck coupling. In the experiment, the researchers used many compounds, for example, (5-Fluoro-2-iodophenyl)methanol (cas: 877264-43-2Computed Properties of C7H6FIO).

(5-Fluoro-2-iodophenyl)methanol (cas: 877264-43-2) belongs to iodide derivatives. In general, organic iodides are light-sensitive and turn yellow during storage, owing to the formation of iodine. Organoiodine lubricants can be used with titanium, stainless steels, and other metals which tend to seize up with conventional lubricants: organoiodine lubricants can be used in turbines and spacecraft, and as a cutting oil in machining.Computed Properties of C7H6FIO

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

Diiododurene: four centrosymmetric molecules in general positions was written by Britton, Doyle;Gleason, William B.. And the article was included in Acta Crystallographica, Section C: Crystal Structure Communications in 2003.Safety of 1,4-Diiodo-2,3,5,6-tetramethylbenzene This article mentions the following:

Diiododurene (1,4-diodo-2,3,5,6-tetramethylbenzene), C₁₀H₁₂I₂, packs with four mols. in the asym. unit. All four of these mols. violate Kitaigorodsky’s suggestion that mols. with centers of symmetry will lie on crystallog. centers of symmetry. There is 5.6% disorder at one of the sites. Most of the I atoms are in contact with other I atoms, but only six of the I···I contacts are shorter than 4.2 Å. Of these six contacts, one set of three contacts forms a triangular set in which all of the I···I distances are <3.9 Å. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 1,4-Diiodo-2,3,5,6-tetramethylbenzene (cas: 3268-21-1Safety of 1,4-Diiodo-2,3,5,6-tetramethylbenzene).

1,4-Diiodo-2,3,5,6-tetramethylbenzene (cas: 3268-21-1) belongs to iodide derivatives. Generally organic iodides can be divided into two classes of alkyl iodides and aryl iodides. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. Polyiodoorganic compounds are sometimes employed as X-ray contrast agents, in fluoroscopy, a type of medical imaging. This application exploits the X-ray absorbing ability of the heavy iodine nucleus.Safety of 1,4-Diiodo-2,3,5,6-tetramethylbenzene

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

A convenient one-pot preparation of bis(nitroaryl) tellurides using a tellurium-copper couple as the telluration reagent was written by Suzuki, Hitomi;Nakamura, Tohru. And the article was included in Chemische Berichte in 1994.Related Products of 160938-18-1 This article mentions the following:

The Te-Cu couple generated in situ by the reaction of disodium telluride with copper(I) iodide in dry N-methyl-2-pyrrolidone has been a convenient telluration reagent for some activated iodoarenes. Using this reagent system, the authors have prepared by a one-pot synthesis in satisfactory yields several bis(nitroaryl) tellurides, which are otherwise laborious to obtain. Thus, reaction of Na₂Te with CuI in N-methyl-2-pyrrolidone followed by treatment with 2-O₂NC₆H₄I gave 83% (2-O₂NC₆H₄)₂Te. In the experiment, the researchers used many compounds, for example, 4-Chloro-2-iodo-1-nitrobenzene (cas: 160938-18-1Related Products of 160938-18-1).

4-Chloro-2-iodo-1-nitrobenzene (cas: 160938-18-1) belongs to iodide derivatives. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. The C–I bond is the weakest of the carbon–halogen bonds. These bond strengths correlate with the electronegativity of the halogen, decreasing in the order F > Cl > Br > I.Related Products of 160938-18-1

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

Multi-functional Building Blocks Compatible with Photo-redox-Mediated Alkylation for DNA-Encoded Library Synthesis was written by Badir, Shorouk O.;Sim, Jaehoon;Billings, Katelyn;Csakai, Adam;Zhang, Xuange;Dong, Weizhe;Molander, Gary A.. And the article was included in Organic Letters in 2020.Application of 20776-54-9 This article mentions the following:

DNA-encoded library (DEL) technol. has emerged as a novel interrogation modality for ligand discovery in the pharmaceutical industry. Given the increasing demand for a higher proportion of C(sp³)-hybridized centers in DEL platforms, a photoredox-mediated cross-coupling and defluorinative alkylation process is introduced using com. available alkyl bromides and structurally diverse α-silylamines. Notably, no protecting group strategies for amines are necessary for the incorporation of a variety of amino-acid-based organo-silanes, providing crucial branching points for further derivatization. In the experiment, the researchers used many compounds, for example, 2-Amino-4-iodobenzoic acid (cas: 20776-54-9Application of 20776-54-9).

2-Amino-4-iodobenzoic acid (cas: 20776-54-9) belongs to iodide derivatives. Organic iodides can be alkyl, alkenyl, or alkynyl, and all of them are very reactive toward with many kinds of nucleophiles. In the chemical industry, alkyl iodides serve as excellent alkylating agents and, specifically, methyl iodide is used as a methylating agent in the synthesis of various pharmaceutical drugs.Application of 20776-54-9

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

Quadruple C-H activation coupled to hydrofunctionalization and C-H silylation/borylation enabled by weakly coordinated palladium catalyst was written by Tang, Bo-Cheng;Lin, Wen-Xuan;Chen, Xiang-Long;He, Cai;Ma, Jin-Tian;Wu, Yan-Dong;Lan, Yu;Wu, An-Xin. And the article was included in Nature Communications in 2020.Synthetic Route of C6H3F2I This article mentions the following:

A quadruple C-H activation cascade as well as hydro-functionalization, C-H silylation/borylation sequence based on weakly coordinated palladium catalyst was reported . The hydroxyl group modulated the intrinsic direction of the Heck reaction, and then acts as an interrupter that biases the reaction away from the classic β-H elimination and toward C-H functionalization. Mechanistically, d. functional theory calculation provides important insights into the key six-membered oxo-palladacycle intermediates, and indicates that the β-H elimination was unfavorable both thermodynamically and kinetically. In this article, the versatility of this approach, which was a strategic expansion of the Heck reaction was focused. In the experiment, the researchers used many compounds, for example, 1,2-Difluoro-3-iodobenzene (cas: 64248-57-3Synthetic Route of C6H3F2I).

1,2-Difluoro-3-iodobenzene (cas: 64248-57-3) belongs to iodide derivatives. Organoiodine compounds occur widely in organic chemistry, but are relatively rare in nature. Organoiodine lubricants can be used with titanium, stainless steels, and other metals which tend to seize up with conventional lubricants: organoiodine lubricants can be used in turbines and spacecraft, and as a cutting oil in machining.Synthetic Route of C6H3F2I

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

Synthesis of imidazolo[5,4-b]carbazole-4,10-quinones was written by Desforges, Gwenaelle;Bossert, Cecile;Montagne, Cyril;Joseph, Benoit. And the article was included in Synlett in 2004.SDS of cas: 15813-09-9 This article mentions the following:

The preparation of imidazolo[5,4-b]carbazole-4,10-quinones I (R¹ = H, EtOCH₂; R² = H, Cl) is described. The key steps of the synthesis are selective halogen-metal exchange of the corresponding 4,5-diiodoimidazoles and subsequent addition of the organometallic compounds formed to the carbonyl group of Et 3-formylindole-2-carboxylate. In the experiment, the researchers used many compounds, for example, 4,5-Diiodo-1H-imidazole (cas: 15813-09-9SDS of cas: 15813-09-9).

4,5-Diiodo-1H-imidazole (cas: 15813-09-9) belongs to iodide derivatives. Organic iodides are organic compounds containing a carbon-iodine (C-I) bond. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.SDS of cas: 15813-09-9

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

Cation-n control of regiochemistry of intramolecular Schmidt reactions en route to bridged bicyclic lactams was written by Szostak, Michal;Yao, Lei;Aube, Jeffrey. And the article was included in Organic Letters in 2009.COA of Formula: C4H8ClI This article mentions the following:

The regiochem. of the intramol. Schmidt reaction of 2-azidoalkylketones is controlled by placing a thioether substituent at the position adjacent to the ketone to provide access to a family of unsubstituted medium bridged twisted amides. This outcome is ascribed to the presence of stabilizing through-space interactions between the diazonium cation and the n electrons on heteroatom and does not require a locked conformation of the ketone. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodobutane (cas: 10297-05-9COA of Formula: C4H8ClI).

1-Chloro-4-iodobutane (cas: 10297-05-9) belongs to iodide derivatives. Organic iodides are widely used in organic synthesis. Halogenation of aromatic hydrocarbons is a very important reaction via an electrophilic aromatic substitution. A typical method for synthesis of aromatic iodides is diazotization of primary aromatic amines followed by treatment of potassium iodide. Aliphatic alcohols are converted to alkyl iodides by treating with hydrogen iodide.COA of Formula: C4H8ClI

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

Secondary Products from Intramolecular Cycloadditions of Azidoalkyl Enol Ethers and Azidoalkyl Vinyl Bromides: 1-Azadienes, Their Reactions with Diphenylketene, and Radical Cyclizations To Form Bi- and Tricyclic Lactams was written by Liddon, John T. R.;Lindsay-Scott, Peter J.;Robertson, Jeremy. And the article was included in Journal of Organic Chemistry in 2019.Formula: C4H8ClI This article mentions the following:

Azidoalkyl enol ethers undergo intramol. 1,3-dipolar cycloaddition to generate stable triazolines; in contrast, the cycloadducts formed by heating analogous azidoalkyl vinyl bromides are unstable with respect to elimination of N₂ and HBr, affording 1-azadienes (2-alkenyl cyclic imines). These primary products may be isolated or treated directly with diphenylketene to produce bi- and tricyclic 3,4-dihydropyridin-2(1H)-ones; similar ring systems may also be produced from the azadienes by N-acylation and radical cyclization. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodobutane (cas: 10297-05-9Formula: C4H8ClI).

1-Chloro-4-iodobutane (cas: 10297-05-9) belongs to iodide derivatives. Organic iodides are organic compounds containing a carbon-iodine (C-I) bond. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. A typical method for synthesis of aromatic iodides is diazotization of primary aromatic amines followed by treatment of potassium iodide. Aliphatic alcohols are converted to alkyl iodides by treating with hydrogen iodide.Formula: C4H8ClI

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