Category: 638-45-9

Yamaga, Hiroaki published the artcileAmino acid derivative reactivity assay-organic solvent reaction system: A novel alternative test for skin sensitization capable of assessing highly hydrophobic substances, COA of Formula: C6H13I, the publication is Journal of Applied Toxicology (2021), 41(10), 1634-1648, database is CAplus and MEDLINE.

The amino acid derivative reactivity assay (ADRA) is an in chemico alternative to animal testing that focuses on protein binding. The ADRA is a skin sensitization test that solves problems associated with the direct peptide reactivity assay. However, when utilizing the ADRA to evaluate highly hydrophobic substances with octanol/water partition coefficients (logKow) of >6, the test substances may not dissolve in the reaction solution, which can prevent the accurate assessment of skin sensitization. Therefore, we developed the ADRA-organic solvent (ADRA-OS) reaction system, which is a novel skin sensitization test that enables the assessment of highly hydrophobic substances with a logKow of >6. We discovered that the organic solvent ratio, the triethylamine concentration, and the EDTA disodium salt dihydrate concentration participate in reactions with the nucleophile N-(2-(1-naphthyl)acetyl)-L-cysteine (NAC) and sensitizers that are used in ADRA and in stabilizing NAC. Thus, we determined the optimal reaction composition of the ADRA-OS according to L₉ (3³) orthogonal array experiments Using this test, we assessed 14 types of highly hydrophobic substances. When we compared the results with ADRA, we found that ADRA-OS reaction system has high solubility for highly hydrophobic substances and that it has a high predictive capacity (sensitivity: 63%, specificity: 100%, accuracy: 79%). The implication of the results is that the novel ADRA-OS reaction system should provide a useful method for assessing the skin sensitization of highly hydrophobic substances with a logKow of >6.

Journal of Applied Toxicology published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C10H14O2, COA of Formula: C6H13I.

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

Tian, Zhenhao published the artcile“Domain Directional Optimization” strategy for the development of UGT1A1-activated fluorescent probe and the application in living systems, Application In Synthesis of 638-45-9, the publication is Sensors and Actuators, B: Chemical (2022), 132342, database is CAplus.

Activity-based fluorescent probes have emerged as the powerful tool for directly monitoring enzyme activity in living systems. Whereas, constructing high isoform-specific fluorescent probes for a target isoenzyme with multiple subtypes is still facing challenge. UGT1A1, as an isoform of UGTs, is a clear target for neonatal jaundice, irinotecan-induced toxicity, and fatal Crigler-Najjar syndrome type I. Herein, a “Domain Directional Optimization” strategy was proposed based on the systematic computational chem. and synchronously exptl. verification. Finally, an isoform-specific “switch-on” fluorescent probe (BUHE) was developed for UGT1A1 based on the boron-dipyrromethene (BODIPY) skeleton. BUHE exhibited the high selectivity and sensitivity toward UGT1A1 and the catalytic progress followed typical Michaelis-Menten kinetic. Moreover, BUHE had a good biocompatibility and chem. stability which was successfully applied to the activity evaluation and in situ imaging of UGT1A1 in complicated bio-systems including living cells, tissue slices and whole organs. In summary, the “Domain Directional Optimization” strategy could serve as a powerful method for developing the isoform-specific fluorescent probe.

Sensors and Actuators, B: Chemical published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C4H6O3, Application In Synthesis of 638-45-9.

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

Verma, Supriy published the artcileDrastic influence of amide functionality and alkyl chain length dependent physical, thermal and structural properties of new pyridinium-amide cation based biodegradable room temperature ionic liquids, Product Details of C6H13I, the publication is Journal of Molecular Structure (2022), 1250(Part_1), 131679, database is CAplus.

A series of new room-temperature ionic liquids (RTILs) based on biodegradable pyridinium carboxamide cation and conformationally flexible NTf₂ anion have been synthesized. The variation of thermo-phys. properties of these RTILs with alkyl chain length size has been studied and compared with corresponding parental pyridinium NTf₂ ILs. A drastic change in thermophys. properties has been noted on the introduction of the amide functionality on pyridinium cation moiety. The crucial role of amide functionality is also important concerning biodegradability as it acts as an active site for an enzymic attack, helpful toward biodegradation Besides, the dependence of thermal and phys. properties on alkyl chain length is also noteworthy. A detailed DFT based theor. studies substantiate the exptl. observation of chain length dependence m.p. variation and successfully correlated that with stabilization energy. Conformational dynamics of NTf₂ anion (between transoid and cisoid) has been elucidated by Raman spectroscopic studies. Interestingly, the data demonstrate that the conformation of NTf₂ anion depends on the chain length of the cation, clearly indicating anionic interaction with the hydrophobic region of the cation. This information is crucial as it vindicates the fact that multiple weak interaction do exist in ILs making it a complex nanostructured system composed of ions.

Journal of Molecular Structure published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C7H6ClN3, Product Details of C6H13I.

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

Mendoza, Manuel published the artcileIndolactam dipeptides as nanomolar Gli inhibitors, Recommanded Product: 1-Iodohexane, the publication is ACS Medicinal Chemistry Letters (2022), 13(7), 1036-1042, database is CAplus and MEDLINE.

The Gli transcription factors within the Hedgehog (Hh) signaling pathway play essential roles in human development. However, the reactivation of Gli proteins in adult tissue is tumorigenic and drives the progression of several cancers, including the majority of basal cell carcinomas. Here we describe a novel set of indolactam dipeptides that target protein kinase C (PKC), exploiting the unique capacity of PKC isoenzymes to act as regulators of Gli. We devised an efficient synthetic route for the indolactam-based natural product (-)-pendolmycin and a series of analogs, and we evaluated these analogs in mechanistically distinct Gli reporter assays. The lead compound from these studies, N-hexylindolactam V (I), exhibits superior Gli suppression relative to clin. inhibitors and blocks the growth of Gli-dependent basal cell carcinoma cells. More broadly, our structure-activity studies provide inroads for the development of novel Gli antagonists and new avenues for combating Gli-driven cancers.

ACS Medicinal Chemistry Letters published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Recommanded Product: 1-Iodohexane.

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

Rousseau, Lidie published the artcileRelevance of Single-Transmetalated Resting States in Iron-Mediated Cross-Couplings: Unexpected Role of σ-Donating Additives, Application In Synthesis of 638-45-9, the publication is Inorganic Chemistry (2021), 60(11), 7991-7997, database is CAplus and MEDLINE.

Control of the transmetalation degree of organoiron(II) species is a critical parameter in numerous Fe-catalyzed cross-couplings to ensure the success of the process. In this report, we however demonstrate that the selective formation of a monotransmetalated Fe^II species during the catalytic regime counterintuitively does not alone ensure an efficient suppression of the nucleophile homocoupling side reaction. It is conversely shown that a fine control of the transmetalation degree of the transient Fe^III intermediates obtained after the activation of alkyl electrophiles by a single-electron transfer (SET), achievable using σ-donating additives, accounts for the selectivity of the cross-coupling pathway. This report shows for the first time that both coordination spheres of Fe^II resting states and Fe^III short-lived intermediates must be efficiently tuned during the catalytic regime to ensure high coupling selectivities.

Inorganic Chemistry published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Application In Synthesis of 638-45-9.

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

Zhang, Dejiang published the artcileNickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes, COA of Formula: C6H13I, the publication is ACS Catalysis (2022), 12(2), 854-867, database is CAplus.

Herein, the authors disclose a general and efficient method for the synthesis of Sb-aryl and Sb-alkyl stibines by the Ni-catalyzed cross-coupling of halostibines with organic halides. The synthesized Sb-aryl stibines couple with aryl halides to give biaryls efficiently via Pd catalysis. Sequential reactions of stibines with polyhalogenated arenes bearing active C-I/C-Br sites and inactive C-Cl sites successfully proceeded, giving a variety of complex mols. with good site selectivity. Drugs such as diflunisal and fenbufen, as well as a fenofibrate derivative, were synthesized on gram scales in good yields, together with the high recovery of chlorostibine. Also, catalytic mechanisms are proposed based on the results of control experiments

ACS Catalysis published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C5H7F3O3, COA of Formula: C6H13I.

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

Wang, Bingbing published the artcileElectrochemical Borylation of Alkyl Halides: Fast, Scalable Access to Alkyl Boronic Esters, Formula: C6H13I, the publication is Journal of the American Chemical Society (2021), 143(33), 12985-12991, database is CAplus and MEDLINE.

Herein, a fast, scalable, and transition-metal-free borylation of alkyl halides (X = I, Br, Cl) enabled by electroreduction is reported. This process provides an efficient and practical access to primary, secondary, and tertiary boronic esters at a high current. More than 70 examples, including the late-stage borylation of natural products and drug derivatives, are furnished at room temperature, thereby demonstrating the broad utility and functional-group tolerance of this protocol. Mechanistic studies disclosed that B₂cat₂ serves as both a reagent and a cathodic mediator, enabling electroreduction of difficult-to-reduce alkyl bromides or chlorides at a low potential.

Journal of the American Chemical Society published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C12H10O4S, Formula: C6H13I.

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

Li, Yan published the artcileCobalt-catalysed enantioselective C(sp³)-C(sp³) coupling, Application In Synthesis of 638-45-9, the publication is Nature Catalysis (2021), 4(10), 901-911, database is CAplus.

Enantioselective C(sp³)-C(sp³) coupling substantially impacts organic synthesis but remains challenging. Cobalt has played an important role in the development of homogeneous organometallic catalysis, but there are few examples of its use in asym. cross-coupling. Here, a cobalt-catalyzed enantioselective C(sp³)-C(sp³) coupling reaction, namely, alkene hydroalkylation, to access chiral fluoroalkanes was reported. This reaction represents a catalyst-controlled enantioselective coupling mode in which a tailor-made auxiliary is unnecessary; via this reaction, an aliphatic C-F stereogenic center can be introduced at the desired position in an alkyl chain.

Nature Catalysis published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Application In Synthesis of 638-45-9.

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

Jones, Andrew C. published the artcileA Ball Milling-Enabled Cross-Electrophile Coupling, Quality Control of 638-45-9, the publication is Organic Letters (2021), 23(16), 6337-6341, database is CAplus and MEDLINE.

The nickel-catalyzed cross-electrophile coupling of aryl halides and alkyl halides enabled by ball-milling is herein described. Under a mechanochem. manifold, the reductive C-C bond formation was achieved in the absence of bulk solvent and air/moisture sensitive set-ups, in reaction times of 2 h. The mech. action provided by ball milling permits the use of a range of zinc sources to turnover the nickel catalytic cycle, enabling the synthesis of 28 cross-electrophile coupled products.

Organic Letters published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Quality Control of 638-45-9.

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

Khaliullin, F. A. published the artcileSynthesis and Antidepressant Activity of 4-Alkyl-5-Bromo-2,4-Dihydro-2-(Thietan-3-yl)-1,2,4-Triazol-3-Ones, Quality Control of 638-45-9, the publication is Pharmaceutical Chemistry Journal (2021), 55(2), 123-129, database is CAplus.

A series of 4-alkyl-5-bromo-2,4-dihydro-2-(thietan-3-yl)-1,2,4-triazol-3-ones I (R = Me, Bn, Et, etc.) were synthesized by reacting 5-bromo-2,4-dihydro-2-(thietan-3-yl)-1,2,4-triazol-3-one (II) with alkyl halides RX (X = I, Br) and di-Me sulfate. The antidepressant activity of the synthesized compounds I in non-inbred male mice was investigated using tail-suspension and forced-swim tests. Compounds II and I (R = Me, n-Pr, Bn, 2-bromoethyl) after a single i.p. injection produced antidepressant effects in screening tests and did not cause sedative and/or psychostimulatory effects in the open-field test. Compound II produced an antidepressant effect comparable to that of fluoxetine, had low toxicity (class IV toxicity), and was superior to fluoxetine in therapeutic index and strength of the antidepressant effect after a course of administration. The calculated physicochem. properties and toxic risks showed that all synthesized compounds I complied fully with Lipinski’s rule of five. The calculated drug score and absence of predicted toxic risks for the most active compound II suggested that it was promising for creating a new pharmaceutical substance with antidepressant activity.

Pharmaceutical Chemistry Journal published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Quality Control of 638-45-9.

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