Month: December 2022

Li, Yu published the artcileThe chain microstructure and condensed structure of polyethylene resin used for Biaxially stretched film, Application In Synthesis of 31570-04-4, the publication is Journal of Applied Polymer Science (2021), 138(2), 49652, database is CAplus.

To explore the desirable chain structure and condensed structure of polyethylene used for biaxial stretching, the blends of two polyethylenes (PE1 and PE2) with different mol. weight and branch distribution were investigated. Their condensed structure including relaxation and crystallization behavior was studied by rheol., dynamic mech. anal. (DMA), and non-isothermal crystallization kinetics. And the chain microstructure was characterized by preparative temperature rising elution fractionation (P-TREF), and successive self-nucleation and annealing (SSA). It was demonstrated that the structural variables were not changing monotonically with the increment of the PE1 content. The longest relaxation time, lowest and less varied crystallization rate always appeared when the blend contained 15 wt% of PE1. This excellent structure was owing to the formation of more branches on the short chains, resulting in the uniform distribution of lamellae size and thus showing the widest biaxial stretchable temperature range (i.e., 8°C).

Journal of Applied Polymer Science published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, Application In Synthesis of 31570-04-4.

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

Wu, Ying-Ta published the artcileA new N-acetylgalactosamine containing peptide as a targeting vehicle for mammalian hepatocytes via asialoglycoprotein receptor endocytosis, Formula: C14H19NO8, the publication is Current Drug Delivery (2004), 1(2), 119-127, database is CAplus and MEDLINE.

Galactoside-containing cluster ligands have high affinity for asialoglycoprotein receptors (ASGP-r), which are found in abundance in mammalian parenchymal liver cells. These ligands may be conjugated with a therapeutic drug to improve the efficiency of delivery to diseased liver cells. This report describes a new synthetic route towards clustering glycopeptides containing N-acetyl-D-galactosamine (GalNAc). The building block Fmoc-α-(ah-Ac₃GalNAc)-L-glutamate allowed access to the target compound YEEE(α-ah-GalNAc)₃, a structural mimic of YEE(ah-GalNAc)₃, via solid phase peptide synthesis (SPPS). Fatty acid, polylysine, fluorescein and biotin conjugates further demonstrate the facility of the described method. Using fluorescein labeling and ¹³¹I labeling, in vitro and in vivo assays confirmed that YEEE(α-ah-GalNAc)₃ possesses both specificity and affinity to the liver, similar to the agent YEE(ah-GalNAc)₃, which targets liver lesions. The synthesis described in this report represents a considerable improvement in synthesizing a ligand for ASGP-r by simplifying both the preparation of the starting material and the procedure for conjugating the galactosidase cluster to drugs.

Current Drug Delivery published new progress about 10378-06-0. 10378-06-0 belongs to esters-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Ester,Inhibitor,Inhibitor, name is (3aR,5R,6R,7R,7aR)-5-(Acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazole-6,7-diyl diacetate, and the molecular formula is C6H9BN2O2, Formula: C14H19NO8.

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

Chen, Haifeng published the artcileNickel-Catalyzed Reductive Allylation of Tertiary Alkyl Halides with Allylic Carbonates, COA of Formula: C12H14O2, the publication is Angewandte Chemie, International Edition (2017), 56(42), 13103-13106, database is CAplus and MEDLINE.

The construction of all C(sp³) quaternary centers has been successfully achieved under Ni-catalyzed cross-electrophile coupling of allylic carbonates with unactivated tertiary alkyl halides. For allylic carbonates bearing C1 or C3 substituents, the reaction affords excellent regioselectivity through the addition of alkyl groups to the unsubstituted allylic carbon terminus. The allylic alkylation method also exhibits excellent functional-group compatibility, and delivers the products with high E selectivity.

Angewandte Chemie, International Edition published new progress about 5205-11-8. 5205-11-8 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Benzene,Ester, name is 3-Methylbut-2-en-1-yl benzoate, and the molecular formula is C12H14O2, COA of Formula: C12H14O2.

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

Xu, Zhidong published the artcileRadiosynthesis of a carbon-11 labeled PDE5 inhibitor [¹¹C]TPN171 as a new potential PET heart imaging agent, Recommanded Product: Methyl 3-oxovalerate, the publication is Applied Radiation and Isotopes (2020), 109190, database is CAplus and MEDLINE.

To develop PET tracers for imaging of heart disease, a new carbon-11 labeled potent and selective PDE5 inhibitor [¹¹C]TPN171 ([¹¹C]9) has been synthesized. The reference standard TPN171 (9) and its corresponding precursor desmethyl-TPN171 (11) were synthesized from Me 3-oxovalerate and 2-hydroxybenzonitrile in 9 and 10 steps with 31% and 25% overall chem. yield, resp. The radiotracer [¹¹C]TPN171 was prepared from desmethyl-TPN171 with [¹¹C]CH₃OTf through N-¹¹C-methylation and isolated by HPLC purification followed by SPE formulation in 45-55% radiochem. yield, based on [¹¹C]CO₂ and decay corrected to EOB. The radiochem. purity was >99%, and the molar activity (A_m) at EOB was in a range of 370-740 GBq/μmol.

Applied Radiation and Isotopes published new progress about 30414-53-0. 30414-53-0 belongs to esters-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Ketone,Ester, name is Methyl 3-oxovalerate, and the molecular formula is C22H18O2, Recommanded Product: Methyl 3-oxovalerate.

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

Yuan, Nan published the artcileLabel-free Fluorescence Turn on Trypsin Assay Based on Gemini Surfactant/heparin/Nile Red Supramolecular Assembly, Synthetic Route of 10287-53-3, the publication is Journal of Fluorescence (2021), 31(5), 1537-1545, database is CAplus and MEDLINE.

In this research, we designed a label-free fluorometric turn-on assay for trypsin and inhibitor screening, based on a spherical cationic gemini surfactant ethylene-bis (dodecyl di-Me ammonium bromide) (EDAB)/heparin/Nile red (NR) supramol. assembly system. The introduction of gemini surfactant EDAB as template greatly enhanced its salt resistance and resulted in the supramol. assemblies with diameters ranging from 20 to 100 nm. The fluorometric assay for trypsin was performed by firstly disassembling with protamine (a heparin-binding protein) and then re-assembling through hydrolysis of protamine. The disassembly and reassembly of the system resulted in a turn-off first and then a turn-on behavior of the corresponding fluorescence. The overall processes were characterized by fluorescence spectra, TEM measurements and zeta potential tests. The detection level of this assembly system for trypsin was as low as 4.2 ng mL-1. Also, the EDAB/heparin/NR assembly could be used to screen the trypsin inhibitors. The assembly system was easily-fabricated and cost-effective, but also exhibited good salt tolerance in NaCl solution at the concentration of 0-500 mM. At last, the supramol. assembly was successfully applied to detect trypsin in human urine, demonstrating its great potential on clin. diagnosis applications.

Journal of Fluorescence published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C17H16O2, Synthetic Route of 10287-53-3.

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

Zhang, Guodong published the artcileRegioselective C-H Alkylation via Carboxylate-Directed Hydroarylation in Water, Safety of 3-(Methoxycarbonyl)benzoic acid, the publication is Chemistry – A European Journal (2018), 24(18), 4537-4541, database is CAplus and MEDLINE.

In the presence of catalytic [RuCl₂(p-cym)]₂ and using Li₃PO₄ as the base, benzoic acids react with olefins in water to afford the corresponding 2-alkylbenzoic acids in moderate to excellent yields. This C-H alkylation process is generally applicable to diversely substituted electron-rich and electron-deficient benzoic acids, along with α,β-unsaturated olefins including unprotected acrylic acid. The widely available carboxylate directing group can be removed or used for further derivatization. Mechanistic studies revealed that the transformation proceeds via a ruthenacycle intermediate.

Chemistry – A European Journal published new progress about 1877-71-0. 1877-71-0 belongs to esters-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Ester, name is 3-(Methoxycarbonyl)benzoic acid, and the molecular formula is C14H10O4, Safety of 3-(Methoxycarbonyl)benzoic acid.

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

Bachovchin, Daniel A. published the artcileSuperfamily-wide portrait of serine hydrolase inhibition achieved by library-versus-library screening, Quality Control of 50670-76-3, the publication is Proceedings of the National Academy of Sciences of the United States of America (2010), 107(49), 20941-20946, S20941/1-S20941/172, database is CAplus and MEDLINE.

Serine hydrolases (SHs) are-one of the largest and most diverse enzyme classes in mammals. They play fundamental roles in virtually all physiol. processes and are targeted by drugs to treat diseases such as diabetes, obesity, and neurodegenerative disorders. Despite this, we lack biol. understanding for most of the 110+ predicted mammalian metabolic SHs, in large part because of a dearth of assays to assess their biochem. activities and a lack of selective inhibitors to probe their function in living systems. We show here that the vast majority (>80%) of mammalian metabolic SHs can be labeled in proteomes by a single, active site-directed fluorophosphonate probe. We exploit this universal activity-based assay in a library-vs.-library format to screen 70+ SHs against 140+ structurally diverse carbamates. Lead inhibitors were discovered for ∼40% of the screened enzymes, including many poorly characterized SHs: Global profiles identified carbamate inhibitors that discriminate among highly sequence-related SHs and, conversely, enzymes that share inhibitor sensitivity profiles despite lacking sequence homol. These findings indicate that sequence relatedness is not a strong predictor of shared pharmaol. within the SH superfamily. Finally, we show that lead carbamate inhibitors can be optimized into pharmacol. probes that inactivate individual SHs with high specificity in vivo.

Proceedings of the National Academy of Sciences of the United States of America published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Quality Control of 50670-76-3.

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

Zhang, Yueteng published the artcilePhotoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals, Recommanded Product: Ethyl 4-dimethylaminobenzoate, the publication is ACS Catalysis (2021), 11(2), 998-1007, database is CAplus.

The dearomatization of indoles represents the most efficient approach for accessing highly valued indolines. The inherent nucleophilic reactivity of indoles has dictated indole dearomatization development in both 1e- and 2e- processes. However, the dearomatization of electron-deficient indoles has been challenging. Herein, authors introduce a conceptually distinct photoredox-mediated Giese-type transformation strategy, which is generally used for the conjugate addition of radicals to simple α, β-unsaturated systems, for chemoselectively breaking C=C bonds embedded in the aromatic structure. Moreover, highly diastereoselective addition of challenging neutral radicals has been achieved by Oppolzer camphorsultam chiral auxiliary. Structurally diverse amine-functionalized chiral indolines carrying distinct functional and stereochem. diversity are produced from a wide array of amines as radical precursors. Furthermore, the mild, powerful manifold is capable of the late-stage modification of complex natural products and pharmaceuticals. DFT studies are performed to elucidate the observed stereochem. outcomes.

ACS Catalysis published new progress about 10287-53-3. 10287-53-3 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Ester, name is Ethyl 4-dimethylaminobenzoate, and the molecular formula is C8H16O2, Recommanded Product: Ethyl 4-dimethylaminobenzoate.

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

Zhang, Xin published the artcileReverse atom transfer radical polymerization of dimethyl itaconate initiated by new azo initiator AIBME, Name: Dimethyl itaconate, the publication is RSC Advances (2022), 12(21), 13347-13351, database is CAplus and MEDLINE.

Reverse atom transfer radical polymerization (RATRP) was used to synthesize poly(di-Me itaconate) (PDMI) using an AIBME/CuBr₂/dNbpy system. The number average mol. weight (Mn) of PDMI was as high as Mn = 15 000 g mol^-1, the monomer conversion rate reached up to 70%, and the dispersity remained low (D = 1.06-1.38). The first-order kinetics of PDMI are discussed in detail. The AIBME initiator had a higher initiation efficiency than the AIBN initiator. As the ratio of initiator (AIBME) to catalyst (CuBr₂) decreased, the Mn and D of PDMI decreased. At 60°C and 80°C, the Mn of PDMI was much higher than the theor. number average (M_n,th), and the D of PDMI broadened with the conversion rate. At 100°C, the D of PDMI remained low, and the Mn of PDMI was closer to the Mn,th. As the ratio of monomer (DMI) to initiator (AIBME) increased, the Mn of PDMI changed little over time. These phenomena could be explained by the influence of the initiator and catalyst on polymerization kinetics.

RSC Advances published new progress about 617-52-7. 617-52-7 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Aliphatic hydrocarbon chain,Ester, name is Dimethyl itaconate, and the molecular formula is C7H13BrSi, Name: Dimethyl itaconate.

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

Yu, Tongyan published the artcileFacile synthesis of penta-substituted pyrroles and pyrrole-fused piperidin-4-ones via four component reactions of 2,3-diketoesters, anilines and enaminones, Recommanded Product: Ethyl 3-(dimethylamino)acrylate, the publication is Organic Chemistry Frontiers (2021), 8(20), 5716-5721, database is CAplus.

Herein, a novel BF₃.Et₂O mediated four component reaction of 2,3-diketoesters RC(O)C((OH)₂)C(O)R¹ (R = Me, 2-phenylethenyl, naphthalen-2-yl, thiophen-2-yl, etc.; R¹ = OMe, OEt, (2-methylpropyl)oxidanyl, dimethylaminyl, OBn), anilines 4-R²C₆H₄NH₂ (R² = H, Me, Br, methoxycarbonyl, etc.) and enaminones R³C(O)CH=CHN(CH₃)₂ (R³ = OEt, Ph, furan-2-yl, etc.)/R⁴CH=CHC(O)CH=CHN(CH₃)₂ (R⁴ = Ph, 4-methoxyphenyl), providing highly functionalized pyrroles I and pyrrole-fused piperidin-4-ones II in moderate to good yields was presented. The key to success lies in the utilization of enaminone as the substrate and precise capture of the carbocation intermediate by anilines, allowing the amination to occur at the 5-position smoothly. This strategy is potentially applicable to diverse nucleophilic reagents. Moreover, an intramol. version of this strategy can be utilized to form fused heterocycles.

Organic Chemistry Frontiers published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C4H4N2O2, Recommanded Product: Ethyl 3-(dimethylamino)acrylate.

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