Month: December 2022

Heitel, Pascal published the artcileComputer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype, Synthetic Route of 31719-76-3, the publication is ACS Medicinal Chemistry Letters (2019), 10(2), 203-208, database is CAplus and MEDLINE.

As universal heterodimer partners of many nuclear receptors, the retinoid X receptors (RXRs) constitute key transcription factors. They regulate cell proliferation, differentiation, inflammation, and metabolic homeostasis and have recently been proposed as potential drug targets for neurodegenerative and inflammatory diseases. Owing to the hydrophobic nature of RXR ligand binding sites, available synthetic RXR ligands are lipophilic, and their structural diversity is limited. Here, we disclose the computer-assisted discovery of a novel RXR agonist chemotype and its systematic optimization toward potent RXR modulators. We have developed a nanomolar RXR agonist with high selectivity among nuclear receptors and superior physicochem. properties compared to classical rexinoids that appears suitable for in vivo applications and as lead for future RXR-targeting medicinal chem.

ACS Medicinal Chemistry Letters published new progress about 31719-76-3. 31719-76-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 4-(Phenoxymethyl)benzoic acid, and the molecular formula is C14H12O3, Synthetic Route of 31719-76-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Bianchini, Robert J. published the artcileSynthesis and characterization of the three geometrical isomers of difluoro(1,3-propanediamine-N,N’-diacetato)chromate(III). Crystal structure of trans-Li[CrF₂(1,3-pdda)].2H₂O, Synthetic Route of 10517-44-9, the publication is Inorganic Chemistry (1986), 25(13), 2129-34, database is CAplus.

sym–cis-, unsym–cis-, And trans-Li[CrF₂(pdda)] (H₂ppda = 1,3-propanediamine-N,N‘-diacetic acid), unsym–cis-Li[CrL(pdda)] (H₂L = oxalic and malonic acids) were prepared and characterized by UV-visible and ²H NMR spectroscopy. trans-Li[CrF₂(pdda)].2H₂O crystallizes in the orthorhombic space group Pnma with a 12.137(6), b 15.450(6), c 7.050(3) ?, Z = 4, and R = 0.053 for 1985 independent observed reflections collected at ambient temperature by a full-matrix least-squares refinement procedure. The complex has distorted-octahedral geometry around the Cr, with 2 F atoms trans to 1 another and a F-Cr-F angle of 176.67(9)¡ã. The Cr-F distances are 1.878(2) and 1.901(2) ?. The independent Cr-O and Cr-N distances are 1.992(2) and 2.060(2) ?, resp. The stability of trans-[CrF₂(pdda)]^– was established by ²H NMR and is attributed in part to the chair conformation of the ligand diamine hydrocarbon backbone. A new preparation scheme for incorporating deuterons into polyaminopoly(carboxylic acid) ligands is also reported.

Inorganic Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Synthetic Route of 10517-44-9.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Clark, Andrew J. published the artcileSolid-Supported Copper Catalysts for Atom-Transfer Radical Cyclizations: Assessment of Support Type and Ligand Structure on Catalyst Performance in the Synthesis of Nitrogen Heterocycles, Application of N1,N1,N2-Trimethyl-N2-(2-(methylamino)ethyl)ethane-1,2-diamine, the publication is Journal of Organic Chemistry (2006), 71(4), 1471-1479, database is CAplus and MEDLINE.

A range of solid-supported pyridinemethanimine (PMI) and polyamine ligands were prepared on SiO₂, polystyrene (P), and JandaJel (JJ) supports. The CuCl and CuBr complexes of these supported ligands were used to assess both the effect of the ligand type and the nature of the support upon a representative range of Cu-mediated atom transfer radical cyclizations of 5-exo-trig Cl₃CCON(Ts)CH₂CH:CH₂ (6), BrCMe₂CONTsCH₂CH:CH₂ (24), MeCCl₂CONTsCH₂CH:CH₂ (25), 5-exo-dig Me₂CBrNTsCH₂Cú·CH (26), 4-exo-trig Me₂CBrCONBnC:C(CH₂)₅ (28), and 5-endo-trig derivatives Me₂CBrCON(CH₂Ph)R (R = 1-cyclohexen-1-yl, 27) and MeCHBrCON(CH₂Ph)R (R = 1-cyclohexen-1-yl, 38) to give N-heterocycles. The effect of the nature of the support on the stereochem. outcome of the 5-exo cyclization of 25 was probed. Generally, the type of support (e.g., polystyrene, SiO₂, or JandaJel) had very little effect upon the efficiency and selectivity of the processes, but the nature of the ligand type immobilized was the important factor. Thus, the 5-exo cyclization of 6 and 24–26 proceeded more rapidly with the PMI ligands, whereas 4-exo cyclizations 28 and 5-endo radical polar crossover reactions 27 and 38 proceeded more efficiently with the JJ-TEDETA ligand [Et₂NCH₂CH₂]₂NCH₂CH₂CO₂-JJ (15). The efficiency of the supported ligands was also compared to their solution counterparts. The reusability of P-PMDETA ligand system, Me₂NCH₂CH₂NMeCH₂CH₂NMeCH₂CH₂CH₂-P (13), was assessed in the cyclization of 6.

Journal of Organic Chemistry published new progress about 61877-80-3. 61877-80-3 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is N1,N1,N2-Trimethyl-N2-(2-(methylamino)ethyl)ethane-1,2-diamine, and the molecular formula is C8H21N3, Application of N1,N1,N2-Trimethyl-N2-(2-(methylamino)ethyl)ethane-1,2-diamine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yang, Kaixiang published the artcileDeep eutectic solvent based adhesive with dynamic adhesion, water-resistant and NIR-responsive retrieval properties, Recommanded Product: 3-(Trimethoxysilyl)propan-1-amine, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2022), 135646, database is CAplus.

Adhesives that exhibited dynamic adhesion in underwater environments are of great importance. Here, we report a simple yet versatile method to fabricate underwater adhesive with time-dependent dynamic adhesion derived from the silane-based polymerized deep eutectic solvent (PDES). Particularly, the incorporation of silane can endow the underwater adhesive with a time-dependent adhesive performance, i.e., the adhesion strength increased at first and then decreased. With the further introduction of MXene, NIR-controlled retrieval property can be achieved. We anticipate that the alternative strategy presented here will open a new avenue for designing high-performance underwater adhesive materials with tunable and synergistic properties.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H6N2O, Recommanded Product: 3-(Trimethoxysilyl)propan-1-amine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhao, Min-Min published the artcileSynthesis, crystal structure and dielectric property of clathrate based on 18-crown-6 with biprotonated 1,3-propane-diamine, COA of Formula: C3H12Cl2N2, the publication is Wuji Huaxue Xuebao (2011), 27(6), 1212-1218, database is CAplus.

The reaction of 1,3-propanediamine hydrochloride, 18-crown-6 and trivalent ferric chloride in methanol solution yields an unusual supramol. clathrate, 18-crown-6 and 1,3-propane-diaminium (¦Ì₂-oxo)-hexachloro-di-iron(III) clathrate, [(C₃N₂H₁₂)¡¤(18-Crown-6)₂][Fe₂OCl₆] (1). The biprotonated 1,3-propane-diaminium cation contains two -NH₃⁺ ammonium cations, resulting in a sandwich-type [(C₃N₂H₁₂)²⁺¡¤(18-crown-6)₂] supramol. structure, through N-H¡¤¡¤¡¤O hydrogen bonding interactions within the crystals between the ammonium moieties of cations (-NH₃⁺) and the oxygen atoms of the crown ethers. Dielec. constants of compound 1 were measured at different temperatures and frequencies, showing there is no distinct dielec. anomaly occurred in this case and suggesting that there may be no phase transition within the measured temperature range.

Wuji Huaxue Xuebao published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C10H7NO3, COA of Formula: C3H12Cl2N2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zheng, Hongli published the artcileDocosahexaenoic acid production of the marine microalga Isochrysis galbana cultivated on renewable substrates from food processing waste under CO₂ enrichment, SDS of cas: 63-68-3, the publication is Science of the Total Environment (2022), 157654, database is CAplus and MEDLINE.

Leftover dough is a starch-rich food processing waste of Chinese steamed bread. Leftover dough hydrolyzates enriched with glucose and amino acids were used to cultivate the marine microalga Isochrysis galbana to produce docosahexaenoic acid (DHA) under CO₂ enrichment. Isochrysis galbana could use mixed carbon sources (CO₂, glucose, and amino acids) synchronously to grow and accumulate DHA. Cell growth, the uptake of glucose and amino acids, and DHA production were significantly affected by CO₂ enrichment. The maximum biomass concentration of 3.85 g L^-1 was achieved with 3% CO₂. And the maximum DHA yield was 65.5 mg L^-1 d^-1. To enhance DHA production, a two-stage cultivation strategy was successfully developed by this work. The maximum DHA yield of the two-stage culture was elevated by 2.3-fold. It is feasible to produce DHA by Isochrysis galbana using leftover dough under CO₂ enrichment.

Science of the Total Environment published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C15H14Cl2S2, SDS of cas: 63-68-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zheng, Hongli published the artcileDocosahexaenoic acid production of the marine microalga Isochrysis galbana cultivated on renewable substrates from food processing waste under CO₂ enrichment, Quality Control of 6217-54-5, the publication is Science of the Total Environment (2022), 157654, database is CAplus and MEDLINE.

Leftover dough is a starch-rich food processing waste of Chinese steamed bread. Leftover dough hydrolyzates enriched with glucose and amino acids were used to cultivate the marine microalga Isochrysis galbana to produce docosahexaenoic acid (DHA) under CO₂ enrichment. Isochrysis galbana could use mixed carbon sources (CO₂, glucose, and amino acids) synchronously to grow and accumulate DHA. Cell growth, the uptake of glucose and amino acids, and DHA production were significantly affected by CO₂ enrichment. The maximum biomass concentration of 3.85 g L^-1 was achieved with 3% CO₂. And the maximum DHA yield was 65.5 mg L^-1 d^-1. To enhance DHA production, a two-stage cultivation strategy was successfully developed by this work. The maximum DHA yield of the two-stage culture was elevated by 2.3-fold. It is feasible to produce DHA by Isochrysis galbana using leftover dough under CO₂ enrichment.

Science of the Total Environment published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C7H10O4, Quality Control of 6217-54-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Mochalov, S. S. published the artcileTransformations of para-substituted benzylcyclopropanes, allylbenzenes, and diphenylmethanes under nitration with nitric acid in acetic anhydride, COA of Formula: C13H10F2, the publication is Russian Journal of Organic Chemistry (2005), 41(3), 406-416, database is CAplus.

Electrophilic nitration of benzylcyclopropanes, allylbenzenes, and diphenylmethanes containing ortho,para-orienting substituents in the para position of the benzene ring results mainly in replacement of the cyclopropylmethyl, allyl, or benzyl group, resp. (ipso substitution). The nitration of 4-cyclopropylallylbenzene is not accompanied by nitrodealkylation, and the products are only 2- and 3-nitro-4-cyclopropylallylbenzenes.

Russian Journal of Organic Chemistry published new progress about 457-68-1. 457-68-1 belongs to catalysis-chemistry, auxiliary class Fluoride,Benzene, name is Bis(4-fluorophenyl)methane, and the molecular formula is C13H10F2, COA of Formula: C13H10F2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Khairullin, R. A. published the artcileSynthesis of O,O-Dialkyl S-(1,1-dimethyl-2-oxoethyl) dithiophosphates and their reactions with N-nucleophiles, Quality Control of 140-28-3, the publication is Doklady Chemistry (2016), 467(2), 131-135, database is CAplus.

O,O-Dialkyl S-(1,1-dimethyl-2-oxoethyl) dithiophosphates, 2-(dialkoxythiophosphorylthio)-substituted aldehydes with branched carbon groups, were obtained by hydrolysis of phosphoryl-containing iminium salts. The reaction with primary amines results in imines containing acetal group in different positions. Tri- and tetra-substituted perhydro-1,3-diazoles and oxazoles containing a phosphorus atom in the side chain were prepared by reacting the aldehydes with O,Nand N,N-dinucleophiles.

Doklady Chemistry published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Quality Control of 140-28-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Khairullin, R. A. published the artcileReactions of diphenyldithiophosphinic acid with N-alkyl-2-chloro-2-methylpropanimines, Recommanded Product: N1,N2-Dibenzylethane-1,2-diamine, the publication is Russian Chemical Bulletin (2018), 67(5), 912-915, database is CAplus.

In contrast to O,O-dialkyldithiophosphoric acids, the reactions of more weak diphenyldithiophosphinic acid with N-alkyl-2-chloro-2-methylpropanimines at a 1 : 1 reagent ratio follow two pathways. The first route is nucleophilic substitution of the chlorine atom of the initially formed iminium salt with the diphenylthiophosphinylthio moiety and the second route is the reduction of the C-Cl bond of this iminium salt cation. The main reaction direction is nucleophilic substitution producing new iminium salts, namely, N-alkyl-2-(diphenylthiophosphinylthio)-2-methylpropaniminium chlorides. These salts were used as the starting material to synthesize new organophosphorus compounds bearing aldehyde, imine, and acetal groups and 1,3-diazolidine cycle.

Russian Chemical Bulletin published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Recommanded Product: N1,N2-Dibenzylethane-1,2-diamine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia