Month: October 2022

Related Products of 619-58-9In 2019 ,《A Solution Phase Platform to Characterize Chemical Reaction Compatibility with DNA-Encoded Chemical Library Synthesis》 was published in ACS Combinatorial Science. The article was written by Ratnayake, Anokha S.; Flanagan, Mark E.; Foley, Timothy L.; Smith, Justin D.; Johnson, Jillian G.; Bellenger, Justin; Montgomery, Justin I.; Paegel, Brian M.. The article contains the following contents:

DNA-encoded chem. library (DECL) synthesis must occur in aqueous media under conditions that preserve the integrity of the DNA encoding tag. While the identification of “”DNA-compatible”” reaction conditions is critical for the development of DECL designs that explore previously inaccessible chem. space, reports measuring such compatibility have been largely restricted to methods that do not faithfully capture the impact of reaction conditions on DNA fidelity in solution phase. Here we report a comprehensive methodol. that uses soluble DNA substrates that exactly recapitulate DNA’s exposure to the chem. reactive species of DECL synthesis. This approach includes the assessment of chem. fidelity (reaction yield and purity), encoding fidelity (ligation efficiency), and readability (DNA compatibility), revealing the fate of the DNA tag during DECL chem. from a single platform. The results came from multiple reactions, including the reaction of 4-Iodobenzoic acid(cas: 619-58-9Related Products of 619-58-9)

4-Iodobenzoic acid(cas: 619-58-9) belongs to organic iodides. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. Organic iodides can be alkyl, alkenyl, or alkynyl, and all of them are very reactive toward with many kinds of nucleophiles.Related Products of 619-58-9

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

《1,3,8-Triazaspiro[4.5]decane-2,4-diones as Efficacious Pan-Inhibitors of Hypoxia-Inducible Factor Prolyl Hydroxylase 1-3 (HIF PHD1-3) for the Treatment of Anemia》 was written by Vachal, Petr; Miao, Shouwu; Pierce, Joan M.; Guiadeen, Deodial; Colandrea, Vincent J.; Wyvratt, Matthew J.; Salowe, Scott P.; Sonatore, Lisa M.; Milligan, James A.; Hajdu, Richard; Gollapudi, Anantha; Keohane, Carol A.; Lingham, Russell B.; Mandala, Suzanne M.; DeMartino, Julie A.; Tong, Xinchun; Wolff, Michael; Steinhuebel, Dietrich; Kieczykowski, Gerard R.; Fleitz, Fred J.; Chapman, Kevin; Athanasopoulos, John; Adam, Gregory; Akyuz, Can D.; Jena, Dhirendra K.; Lusen, Jeffrey W.; Meng, Juncai; Stein, Benjamin D.; Xia, Lei; Sherer, Edward C.; Hale, Jeffrey J.. Application of 161489-05-0 And the article was included in Journal of Medicinal Chemistry on April 12 ,2012. The article conveys some information:

The discovery of 1,3,8-triazaspiro[4.5]decane-2,4-diones (spirohydantoins) as a structural class of pan-inhibitors of the prolyl hydroxylase (PHD) family of enzymes for the treatment of anemia is described. The initial hit class, spirooxindoles, was identified through affinity selection mass spectrometry (AS-MS) and optimized for PHD2 inhibition and optimal PK/PD profile (short-acting PHDi inhibitors). 1,3,8-Triazaspiro[4.5]decane-2,4-diones (spirohydantoins) were optimized as an advanced lead class derived from the original spiroindole hit. A new set of general conditions for C-N coupling, developed using a high-throughput experimentation (HTE) technique, enabled a full SAR anal. of the spirohydantoins. This rapid and directed SAR exploration has resulted in the first reported examples of hydantoin derivatives with good PK in preclin. species. Potassium channel off-target activity (hERG) was successfully eliminated through the systematic introduction of acidic functionality to the mol. structure. Undesired upregulation of alanine aminotransferase (ALT) liver enzymes was mitigated and a robust on-/off-target margin was achieved. Spirohydantoins represent a class of highly efficacious, short-acting PHD1-3 inhibitors causing a robust erythropoietin (EPO) upregulation in vivo in multiple preclin. species. This profile deems spirohydantoins as attractive short-acting PHDi inhibitors with the potential for treatment of anemia. The results came from multiple reactions, including the reaction of 4-Iodo-6-methoxypyrimidine(cas: 161489-05-0Application of 161489-05-0)

4-Iodo-6-methoxypyrimidine(cas: 161489-05-0) is one of organic iodides. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. In general, organic iodides are light-sensitive and turn yellow during storage, owing to the formation of iodine. Organic iodides can be alkyl, alkenyl, or alkynyl, and all of them are very reactive toward with many kinds of nucleophiles.Application of 161489-05-0

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

Product Details of 189518-78-3On May 1, 1998 ,《A new approach to highly enantioselective polymeric chiral catalysts》 appeared in Journal of Organic Chemistry. The author of the article were Hu, Qiao-Sheng; Huang, Wei-Sheng; Pu, Lin. The article conveys some information:

A rigid, sterically regular, binaphthol-based, polymeric, chiral catalyst was prepared and used for the asym. reaction of aldehydes with Et2Zn. The ee values obtained were generally 96-98%, the polymer was easily recovered by precipitation with MeOH, and the recovered polymer showed the same enantioselectivity as the original polymer. The experimental part of the paper was very detailed, including the reaction process of (R)-3,3′-Diiodo-2,2′-bis(methoxymethoxy)-1,1′-binaphthalene(cas: 189518-78-3Product Details of 189518-78-3)

(R)-3,3′-Diiodo-2,2′-bis(methoxymethoxy)-1,1′-binaphthalene(cas: 189518-78-3) belongs to organic iodides. 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.Product Details of 189518-78-3

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

COA of Formula: C4H4IN3OOn May 7, 2005 ,《Synthesis and triplex forming properties of pyrrolidino pseudoisocytidine containing oligodeoxynucleotides》 appeared in Organic & Biomolecular Chemistry. The author of the article were Mayer, Alain; Haeberli, Adrian; Leumann, Christian J.. The article conveys some information:

Pyrrolidino pseudo-C-nucleosides are isosteres of natural deoxynucleosides which are protonated at the pyrrolidino ring nitrogen under physiol. conditions. As constituents of a triplex forming oligodeoxynucleotide (TFO), the pos. charge is expected to stabilize DNA triple helixes via electrostatic interactions with the phosphodiester backbone of the target DNA. We describe the synthesis of the pyrrolidino iso-cytidine pseudo-nucleoside and the corresponding phosphoramidite building block and its incorporation into TFOs. Such TFOs show substantially increased DNA affinity compared to unmodified oligodeoxynucleotides. The increase in affinity is shown to be due to the pos. charge at the pyrrolidino subunit. After reading the article, we found that the author used 2-Amino-5-iodopyrimidin-4(1H)-one(cas: 3993-79-1COA of Formula: C4H4IN3O)

2-Amino-5-iodopyrimidin-4(1H)-one(cas: 3993-79-1) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.COA of Formula: C4H4IN3O

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

Bhagwat, Archana A.; Sekar, Nagaiyan published an article on January 31 ,2019. The article was titled 《Fluorescent 7-Substituted Coumarin Dyes: Solvatochromism and NLO Studies》, and you may find the article in Journal of Fluorescence.Related Products of 139102-37-7 The information in the text is summarized as follows:

The effect of three substituents N,N-diethylamine, carbazole and diphenylamine at the 7 position of coumarin on linear and nonlinear optical properties are studied using absorption and emission solvatochromism, and DFT. By varying the substituent 53 nm red shift is achieved in emission. The polarity plots with regression close to unity revealed good charge transfer in the system. Solvent polarizability and dipolarity are mainly responsible for solvatochromic shift as proved by multilinear regression anal. General Mulliken Hush anal. shows diphenylamine substituent leads to more charge separation in compound 6c. The hyperpolarizabilities are evaluated by quantum mech. calculations Structure of the compounds are optimized at B3LYP/6-31G(d) level and NLO computations are done using range separated hybrid functionals with large basis sets. Second order hyperpolarizability (γ) found 589.27 x 10-36, 841.29 x 10-36 and 1043.00 x 10-36 e.s.u for the compounds 6a, 6b and 6c resp. In the experiment, the researchers used 4-Iodo-2-methoxybenzaldehyde(cas: 139102-37-7Related Products of 139102-37-7)

4-Iodo-2-methoxybenzaldehyde(cas: 139102-37-7) belongs to organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.Related Products of 139102-37-7Iodo alkanes participate in a variety of organic synthesis reactions, which include the Simmons–Smith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.

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

Korsager, Signe; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels published an article in Journal of Organic Chemistry. The title of the article was 《Reductive Carbonylation of Aryl Halides Employing a Two-Chamber Reactor: A Protocol for the Synthesis of Aryl Aldehydes Including 13C- and D-Isotope Labeling》.Safety of N-(4-Iodophenyl)cyclopropanecarboxamide The author mentioned the following in the article:

A protocol has been developed for conducting the palladium-catalyzed reductive carbonylation of aryl iodides and bromides using 9-methylfluorene-9-carbonyl chloride (COgen) as a source of externally delivered carbon monoxide in a sealed two-chamber system (COware), and potassium formate as the in situ hydride source. The method is tolerant to a wide number of functional groups positioned on the aromatic ring, and it can be exploited for the isotope labeling of the aldehyde group. Hence, reductive carbonylations run with 13COgen provide a facile access to 13C-labeled aromatic aldehydes, whereas with DCO2K, the aldehyde is specifically labeled with deuterium. Two examples of double isotopic labeling are also demonstrated. Finally, the method was applied to the specific carbon-13 labeling of the β-amyloid binding compound, florbetaben. After reading the article, we found that the author used N-(4-Iodophenyl)cyclopropanecarboxamide(cas: 23779-17-1Safety of N-(4-Iodophenyl)cyclopropanecarboxamide)

N-(4-Iodophenyl)cyclopropanecarboxamide(cas: 23779-17-1) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Safety of N-(4-Iodophenyl)cyclopropanecarboxamide

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

In 2016,Toontom, N.; Posri, W.; Lertsiri, S.; Meenune, M. published 《Effect of drying methods on Thai dried chilli’s hotness and pungent odour characteristics and consumer liking》.International Food Research Journal published the findings.Formula: C2H4I2 The information in the text is summarized as follows:

Dried chilli is widely used for its hotness and pungent odor enhancing properties. In an attempt to get a broad overview of drying effects on hotness and pungent odor characteristics contributing to dominant features of various types of Thai dried chilli, major volatile flavor compounds responsible for perceived hotness and pungent odor of the dried chilli-(freeze (FD), hot air (HD) and sun (SD) dried samples) were identified by trained panel (n = 15) in conjunction with HS-SPME/GC-MS and LLE/GC-MS. Consumer liking of the three dried chilli was assessed on the basis of pungent odor and hotness characteristics by Thai consumers (n = 120) using 9 point-category hedonic scale. The GC-MS and trained panel data were analyzed by PLS and results show that capsaicin was the main compound responsible for the oral hotness sensation, while 1-penten-3-one compound was found to be an indicator of strong pungent odor. The FD sample presented the highest intensity of hotness characteristic (p≤0.05). The content of 1-penten-3-one in FD was also higher than that of HD and SD. Although trained panellists could not differentiate between the intensities of pungent odor of FD and HD (p>0.05), consumers had a tendency to prefer HD. This research proposes that there is substantial value to anal. such as this that integrates human sensorial perception with objective measurement. The outputs of this research can be used to provide guidance on dried chilli product development based on consumer acceptance criteria. The experimental part of the paper was very detailed, including the reaction process of 1,2-Diiodoethane(cas: 624-73-7Formula: C2H4I2)

1,2-Diiodoethane(cas: 624-73-7) is one of organic iodides. Organic iodides are used in veterinary products (Organic Iodide Powder) as a nutritional source of iodine. 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. Oceanic alkyl iodides are believed to be the principal source of atmospheric iodine.Formula: C2H4I2

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

In 2018,Wangoli, Panyako Asman; Kinunda, Grace published 《The effect of alkyl chain tethers on the kinetics and mechanistic behaviour of bifunctional dinuclear platinum(II) complexes bearing N,N’-dipyridylamine ligands》.New Journal of Chemistry published the findings.Reference of 1,2-Diiodoethane The information in the text is summarized as follows:

In the current paper, the authors report the kinetics of bifunctional dinuclear Pt(II) complexes, viz., {1,2-bis(di-2-pyridylamino)alkane}tetraaquadiplatinum(II), alkane = (CH2)2 (PtL2), (CH2)3 (PtL3), (CH2)4 (PtL4), (CH2)5 (PtL5) and (CH2)6 (PtL6). The substitution reactions were carried out on tetraaqua complexes with thiourea nucleophiles under pseudo-first-order conditions as a function of nucleophile concentration and temperature by stopped-flow and UV-visible spectrophotometric techniques. An exptl. study was conducted with the aim of determining the influence of alkyl chains on the steric and electronic structure of dinuclear Pt(II) complexes. The reactivity of these complexes was dependent on the length of the alkylene spacer. The results obtained herein demonstrate the intriguing odd-even effects induced by the alkyl chain on the complexes. Artificial constraints imposed by the alkyl chain significantly affect their conformational structure to be either synperiplanar (syn-) or antiperiplanar (anti-) characterized by the odd and even effect. The kinetic, mechanistic and conformational behavior was influenced by the size of the alkyl chain in accordance with odd-even alterations of the spacer. Computational modeling using d. functional theory (DFT) calculations supplemented exptl. findings that structural features and the reactivity pattern of these metal complexes are governed by both steric and electronic effects arising from the flexibility and inductive nature of the alkyl spacer. The strong σ-donicity of longer alkyl chains favors sufficient accumulation of electron d. at the metal center and stabilizes a 14-electron intermediate. The study shows the HOMO-LUMO energy (ΔE) is affected by the length of the spacer. Kinetic and DFT data indicate electron donation by the alkyl spacer. The low pos. values of enthalpy of activation and significantly large neg. values of entropy of activation indicate an associative mechanism of substitution. The experimental part of the paper was very detailed, including the reaction process of 1,2-Diiodoethane(cas: 624-73-7Reference of 1,2-Diiodoethane)

1,2-Diiodoethane(cas: 624-73-7) is one of organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond. Iodo alkanes participate in a variety of organic synthesis reactions, which include the Simmons–Smith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Reference of 1,2-Diiodoethane

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

The author of 《Ruthenium(II)-Catalyzed Homocoupling of Weakly Coordinating Sulfoxonium Ylides via C-H Activation/Annulations: Synthesis of Functionalized Isocoumarins》 were Zhou, Ming-Dong; Peng, Zhen; Wang, He; Wang, Zhao-Hui; Hao, Da-Jin; Li, Lei. And the article was published in Advanced Synthesis & Catalysis in 2019. Product Details of 1774-47-6 The author mentioned the following in the article:

Homocoupling of weakly coordinating sulfoxonium ylides was accomplished via a ruthenium(II) catalyzed C-H activation process. This strategy provides a convenient, efficient and step-economic method to access 3-substituted isocoumarins with good functional group tolerance. The sulfoxonium ylide acts both as the convenient aromatic substrate and the acylmethylation reagent in this transformation. Moreover, the products could be transformed into diverse valuable derivatives In the part of experimental materials, we found many familiar compounds, such as Trimethylsulfoxonium iodide(cas: 1774-47-6Product Details of 1774-47-6)

Trimethylsulfoxonium iodide(cas: 1774-47-6) reacts with sodium hydride to prepare dimethyloxosulfonium methylide, which is used as a methylene-transfer reagent in synthetic chemistry. It is used to prepare ylide, which reacts with carbonyl compounds to get epoxides. Further, it reacts with alfa,beta-unsaturated esters to get cyclopropyl esters.Product Details of 1774-47-6

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

The author of 《INCB050465 (Parsaclisib), a Novel Next-Generation Inhibitor of Phosphoinositide 3-Kinase Delta (PI3Kδ)》 were Yue, Eddy W.; Li, Yun-Long; Douty, Brent; He, Chunhong; Mei, Song; Wayland, Brian; Maduskuie, Thomas; Falahatpisheh, Nikoo; Sparks, Richard B.; Polam, Padmaja; Zhu, Wenyu; Glenn, Joseph; Feng, Hao; Zhang, Ke; Li, Yanlong; He, Xin; Katiyar, Kamna; Covington, Maryanne; Feldman, Patricia; Shin, Niu; Wang, Kathy He; Diamond, Sharon; Li, Yu; Koblish, Holly K.; Hall, Leslie; Scherle, Peggy; Yeleswaram, Swamy; Xue, Chu-Biao; Metcalf, Brian; Combs, Andrew P.; Yao, Wenqing. And the article was published in ACS Medicinal Chemistry Letters in 2019. Synthetic Route of C10H18INO2 The author mentioned the following in the article:

A medicinal chem. effort focused on identifying a structurally diverse candidate for phosphoinositide 3-kinase delta (PI3Kδ) led to the discovery of clin. candidate INCB050465 (20, parsaclisib). The unique structure of 20 contains a pyrazolopyrimidine hinge-binder in place of a purine motif that is present in other PI3Kδ inhibitors, such as idelalisib (1), duvelisib (2), and INCB040093 (3, dezapelisib). Parsaclisib (20) is a potent and highly selective inhibitor of PI3Kδ with drug-like ADME properties that exhibited an excellent in vivo profile as demonstrated through pharmacokinetic studies in rats, dogs, and monkeys and through pharmacodynamic and efficacy studies in a mouse Pfeiffer xenograft model. In the experiment, the researchers used many compounds, for example, tert-Butyl 4-iodopiperidine-1-carboxylate(cas: 301673-14-3Synthetic Route of C10H18INO2)

tert-Butyl 4-iodopiperidine-1-carboxylate(cas: 301673-14-3) is one of organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond. Iodo alkanes participate in a variety of organic synthesis reactions, which include the Simmons–Smith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Synthetic Route of C10H18INO2

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