Month: November 2022

Tan, Derek S. published the artcileStereoselective Synthesis of over Two Million Compounds Having Structural Features Both Reminiscent of Natural Products and Compatible with Miniaturized Cell-Based Assays, Synthetic Route of 101-29-1, the publication is Journal of the American Chemical Society (1998), 120(33), 8565-8566, database is CAplus.

A combinatorial library of 2.18 million octahydrobenzoisoxazoles I (R = 2-I, 3-I, 4-I, 2-R⁴CC, 3-R⁴CC, 4-R⁴CC; R¹ = alkyl, cycloalkyl, arylalkyl; R² = alkyl, cycloalkyl, aryl, arylalkyl, heteroaryl; R³ = NH₂, CH₂CONH₂, (CH₂)₅CONH₂; R⁴ = alkyl, aryl, arylalkyl) has been generated to give a set rigid, stereochem. defined, and structurally diverse mols. The libraries are prepared in six steps from either enantiomer of oxacycloheptane II by linking to a solid support with one of three linkers, esterification and dipolar cycloaddition with arylmethyl glycine nitrones, Sonogashira coupling of the product iodoaryl derivatives with alkynes, lactone cleavage with amines, acylation of the free alcs. with acids and acyl coupling reagents, and photochem. cleavage from the resin. Sublibraries of I were prepared to test the reactivity of alkynes, amines, and acids in the preparative sequence towards I and the purity of the products generated. Libraries generated by this sequence are spatially separated and encoded, allowing for controlled release of libraries into solution and for cell-based testing of the libraries.

Journal of the American Chemical Society published new progress about 101-29-1. 101-29-1 belongs to iodides-buliding-blocks, auxiliary class Pyridine,Iodide,Carboxylic acid,Ketone, name is 2-(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid, and the molecular formula is C4H10OS, Synthetic Route of 101-29-1.

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

Schwickert, Marvin published the artcileDiscovery of Inhibitors of DNA Methyltransferase 2, an Epitranscriptomic Modulator and Potential Target for Cancer Treatment, Application of (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate, the publication is Journal of Medicinal Chemistry (2022), 65(14), 9750-9788, database is CAplus and MEDLINE.

Selective manipulation of the epitranscriptome could be beneficial for the treatment of cancer and also broaden the understanding of epigenetic inheritance. Inhibitors of the tRNA methyltransferase DNMT2, the enzyme catalyzing the S-adenosylmethionine-dependent methylation of cytidine 38 to 5-methylcytidine, were designed, synthesized, and analyzed for their enzyme-binding and -inhibiting properties. For rapid screening of potential DNMT2 binders, a microscale thermophoresis assay was established. Besides the natural inhibitors S-adenosyl-L-homocysteine (SAH) and sinefungin (SFG), we identified new synthetic inhibitors based on the structure of N-adenosyl-2,4-diaminobutyric acid (Dab). Structure-activity relationship studies revealed the amino acid side chain and a Y-shaped substitution pattern at the 4-position of Dab as crucial for DNMT2 inhibition. The most potent inhibitors are alkyne-substituted derivatives, exhibiting similar binding and inhibitory potencies as the natural compounds SAH and SFG. CaCo-2 assays revealed that poor membrane permeabilities of the acids and rapid hydrolysis of an ethylester prodrug might be the reasons for the insufficient activity in cellulo.

Journal of Medicinal Chemistry published new progress about 161370-66-7. 161370-66-7 belongs to iodides-buliding-blocks, auxiliary class Chiral,Iodide,Amine,Aliphatic hydrocarbon chain,Ester,Amide, name is (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate, and the molecular formula is C6H3ClFNO2, Application of (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate.

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

Wisniewski, Kazimierz published the artcileOn the mechanism of degradation of oxytocin and its analogues in aqueous solution, Application of (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate, the publication is Biopolymers (2013), 100(4), 408-421, database is CAplus and MEDLINE.

Oxytocin (OT) is a cyclic nonapeptide containing one internal disulfide bond between its Cys¹ and Cys⁶ residues. Although OT is one of the most commonly used peptidic drugs, the mechanism of its degradation in aqueous solution and the identity of its degradants have not been fully elucidated. To investigate the pathways and products of OT degradation in slightly acidic to neutral solutions, we prepared the peptides: OT, [D-Cys¹]OT, a series of N-alkylated OT analogs, [[¹³C₃,¹⁵N]Cys¹]OT, and OT where each sulfur atom was systematically replaced by either methylene, ³⁴S, or Se. The peptides were incubated at 40°C and the degradation products studied by HPLC, LCMS, and ¹³C-NMR. Our findings suggest that the degradation begins with β-elimination of the disulfide linkage to form a putative intermediate linear peptide containing an S-thiocysteine (a persulfide) in position 6 and a dehydroalanine in position 1. This intermediate persulfide appears to donate a sulfur atom to an intact OT mol. to form OT trisulfide and higher monomeric polysulfides, while the dehydroalanine residue is hydrolyzed with loss of the N-terminal amino group to yield a linear N-pyruvoylated octapeptide containing a reduced Cys⁶. Based on the MS and ¹³C-NMR data of the products from degradation of [[¹³C₃,¹⁵N]Cys¹]OT, we postulate that the ultimate degradation products of OT are dimers composed of two pyruvoylated octapeptides held together by one disulfide bridge between the two Cys⁶ residues and by one more, non-reducible, linkage resulting from an aldol-type condensation between the two N-terminal pyruvoyl groups.

Biopolymers published new progress about 161370-66-7. 161370-66-7 belongs to iodides-buliding-blocks, auxiliary class Chiral,Iodide,Amine,Aliphatic hydrocarbon chain,Ester,Amide, name is (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate, and the molecular formula is C9H22OSi, Application of (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate.

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

Polo-Cuadrado, Efrain published the artcileSingle crystal structure, thermal stability and theoretical studies of ethyl 4-(4-(dimethylamino)phenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, Synthetic Route of 638-45-9, the publication is Journal of Molecular Structure (2022), 132826, database is CAplus.

Et 4-(4-(dimethylamino)phenyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (5) was synthesized according to our previously reported procedure in a 92% yield and crystallized by a slow evaporation technique. This report describes the in-depth structural anal. thereof. The structural characterization and purity of the title compound were determined by UV-vis, FT-IR, ¹H NMR, and ¹³C NMR spectroscopy, high-resolution mass spectrometry (HRMS), thermogravimetric anal. (TG/DTG), and its 3D-structure was confirmed by single-crystal X-ray diffraction. The synthesized title mol. crystallized in the triclinic space group P-1, Z = 2. In the crystal packing, the cohesion among the different mols. is assured by one C-H···O hydrogen bond interaction. Hirshfeld surface anal. indicated that H···H bond interactions are the primary contributors to the intermol. stabilization in the crystal.

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 C6H13I, Synthetic Route of 638-45-9.

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

Gomes, Vanessa S. D. published the artcileSquaraine Dyes Derived from Indolenine and Benzo[e]indole as Potential Fluorescent Probes for HSA Detection and Antifungal Agents, Application of 1-Iodohexane, the publication is Photochemistry and Photobiology, database is CAplus and MEDLINE.

Four squaraine dyes derived from 2,3,3-trimethylindolenine and 1,1,2-trimethyl-1H-benzo[e]indole with different combinations of barbituric groups attach to the central ring, having ester groups and alkyl chains in the nitrogen atoms of heterocyclic rings were synthesized. These dyes were fully characterized, and their photophys. behavior was studied in ethanol and phosphate-buffered solution Absorption and emission bands between 631 and 712 nm were detected, with the formation of aggregates in aqueous media, which is typical of this class of dyes. Tests carried out with 1,3-diphenylisobenzofuran allowed us to verify the ability of the dyes to produce singlet oxygen. The interaction of synthesized dyes with human serum albumin (HSA) was also evaluated, being demonstrated a linear correlation between fluorescence intensity and protein concentration The antifungal potential of the dyes against the yeast Saccharomyces cerevisiae was evaluated using a broth microdilution assay. In order to test the photosensitizing capacity of the synthesized dyes, tests were carried out in the dark and with irradiation, using a custom-built light-emitting diode that emits close to the absorption wavelength of the studied dyes. The results showed that the interaction of dyes with HSA and the antifungal activity depends on the different structural modifications of the dyes.

Photochemistry and Photobiology 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 of 1-Iodohexane.

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

Zappi, Enrique V. published the artcileCombinations of iodine trichloride with pyridine, quinoline and trimethylamine, Synthetic Route of 6443-90-9, the publication is Anales de la Asociacion Quimica Argentina (1921-2001) (1939), 102-26, database is CAplus.

Chloroiodides and trichloroiodides of pyridine, quinoline and NMe₃, and their hydrates have, as regards a given group, the curious property of changing from one to the other by simple chem. reactions and appear to be not true complexes formed about the same central atom, but addition compounds of ICl and ICl₃ with tertiary anhydrous bases, which, by the action of acids or H₂O, are converted into true salts of the NH₄ type with HICl₂ and HICl₄.

Anales de la Asociacion Quimica Argentina (1921-2001) published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C12H15BF2O2, Synthetic Route of 6443-90-9.

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

Klopman, Gilles published the artcileComputer-aided study of the relationship between structure and antituberculosis activity of a series of isoniazid derivatives, Quality Control of 39115-95-2, the publication is Chemical Physics (1996), 204(2,3), 181-93, database is CAplus.

The Multiple Computer Automated Structure Evaluation (MultiCASE) program was used to analyze the relation between the structure and antituberculous activity of a series of 136 hydrazides, most of them isoniazid related. The structural features revealed by this anal. are discussed. The most significant one seemed to be the distance between the pyridinic nitrogen and the terminal nitrogen of the hydrazido group. Given the affiliation of these two heteroatoms with a planar conjugated system, we suggest that Schiff base chem. similar to that of vitamin B₆ may be involved in the mode of action of isoniazid and its related compounds A mechanism of action of isoniazid is proposed and suggestions for the design of new isoniazid-type drugs are made.

Chemical Physics published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Quality Control of 39115-95-2.

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

Chen, Chia-Yuan published the artcileTerpyridyl ruthenium complexes functionalized with conjugated heterocycles for panchromatic dye-sensitized solar cells, COA of Formula: C6H13I, the publication is ACS Applied Energy Materials (2021), 4(12), 13461-13470, database is CAplus.

Photosensitizer, a key component of dye-sensitized solar cells (DSCs), significantly affects the power conversion efficiency (PCE) of the devices. In this study, three terpyridyl (tpy) ruthenium complex dyes incorporating hexyl-substituted pyrrole (CYC-36), 4-methylthiazole (CYC-39), and thieno[3,2-b]pyrrole (CYC-41) were designed and their photovoltaic performance was examined To the best of our knowledge, this study introduced these heterocyclic conjugated rings to functionalize the tpy-coordinated ruthenium complexes and discovered that 4-methylthiazole in the anchoring ligand of CYC-39 simultaneously enhanced the lighting-harvesting capability of the dye mol., increased dye-loading in TiO₂ photoanode, and reduced the charge recombination in the cells. The multifunction of 4-methylthiazole moiety is ascribed to not only the aromaticity and electron-withdrawing nature but also the formation of a moderate dihedral angle between the thiazole ring and the tpy core. Consequently, the DSC device sensitized with CYC-39 yields not only a panchromatic response up to 900 nm but also a good PCE of 9.0%.

ACS Applied Energy Materials 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, COA of Formula: C6H13I.

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

Liu, Shengqin published the artcileHighly selective production of propionic acid from lactic acid catalyzed by NaI, Product Details of C5H9IO2, the publication is Green Chemistry (2020), 22(21), 7468-7475, database is CAplus.

Propionic acid (PA), a valuable chem. widely used in the food and feed industry, is currently produced by the petrochem. industry. Selective production of PA from bio-based lactic acid (LA) is difficult due to the high activation energy of the hydroxyl group at the α position of the carboxyl group. Herein, a metal-free catalytic system for the highly selective transformation of bio-based LA to PA, which was used as the solvent to simplify the separation step, is reported using NaI as the catalyst. Under the optimal reaction conditions, a > 99% yield of PA can be obtained from LA. A heat-induced radical-activated hydrogen mechanism was proposed based on the kinetic study and intermediate capture. The metal-free system can be reused five times without any loss in activity, and the PA product is easily separated In addition, a two-step method using cellulose as the raw material to produce PA was conducted. This strategy offers a green and efficient approach to synthesize PA from biomass resources.

Green Chemistry published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Product Details of C5H9IO2.

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

Gromov, S. P. published the artcileCrown ether styryl dyes. 14. Synthesis, luminescence and complex formation of trans-isomers of chromogenic 15-crown-5-ether, Product Details of C12H14IN, the publication is Izvestiya Akademii Nauk, Seriya Khimicheskaya (1995), 2003-8, database is CAplus.

Novel crown ether dyes containing different heterocyclic residues were synthesized. The fluorescence and absorption spectra of trans-isomers of crown ether styryl dyes and their complexes with metal cations were studied. The effect of the heterocyclic fragment structure and temperature on the spectral characteristics of the styryl ionophores was clarified from the anal. of the spectra of styryl dyes and their metal complexes.

Izvestiya Akademii Nauk, Seriya Khimicheskaya published new progress about 606-55-3. 606-55-3 belongs to iodides-buliding-blocks, auxiliary class Quinoline,Salt, name is 1-Ethyl-2-methylquinolin-1-ium iodide, and the molecular formula is C12H14IN, Product Details of C12H14IN.

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