Month: October 2022

McClelland, Robert A.; Seaman, N. Esther; Duff, James M.; Branston, R. E. published the artcile< Kinetics and equilibrium in the ammonolysis of substituted phthalimides>, Quality Control of 118-45-6, the main research area is ammonolysis phthalimide substituent effect; hydrolysis phthalimide kinetics mechanism; cyclization phthalamide kinetics mechanism.

The basic hydrolysis kinetics of the title compounds (I; R = H, 4-NO2, 4-Cl, 4-Me3C, 3-NO2, 3-Me, 3-Me3Si), to phthalamic acids, show that it involves 2 mechanisms, one of which is first order each in I and OH- and one of which (important in very concentrated MeOH) is first order in I and second order in OH-. The ammonolysis kinetics of I (R ≠ 3-Me, 3-Me3Si) show that the mechanism involves a rate-determining breakdown of the anionic form of the tetrahedral intermediate derived by the addition of NH3 to I; the ammonolysis is reversible. The phthalamide hydrolyzes to the phthalamic acid via cyclization to an intermediate I, which is observed in concentrated base, where its formation from phthalamide is more rapid than its subsequent hydrolysis. Rate constants for the cyclization (the microscopic reverse of the ammonolysis) together with those for ammonolysis provide the equilibrium constant for the ammonolysis reaction. The ammonolysis kinetics of I (R = 3-Me) show that it is reversibly converted to the phthalamide and simultaneously undergoes an irreversible hydrolysis. The ammonolysis of I (R = 3-Me3Si) occurs more quickly than hydrolysis but the equilibrium is so unfavorable that even in concentrated NH3 only a small amount of the phthalimide is formed.

Canadian Journal of Chemistry published new progress about Ammonolysis. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Quality Control of 118-45-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Rafique, Rafaila; Khan, Khalid Mohammed; Arshia; Chigurupati, Sridevi; Wadood, Abdul; Rehman, Ashfaq Ur; Salar, Uzma; Venugopal, Vijayan; Shamim, Shahbaz; Taha, Muhammad; Perveen, Shahnaz published the artcile< Synthesis, in-vitro α-amylase inhibitory, and radicals (DPPH & ABTS) scavenging potentials of new N-sulfonohydrazide substituted indazoles>, Application In Synthesis of 22952-32-5, the main research area is phenyl tetrahydroindazolone preparation; tetrahydroindazolylidene sulfonohydrazide diastereoselective preparation; amylase inhibition kinetics antioxidant activity SAR docking; ABTS and DPPH; In silico; In vitro; Indazole; Sulfonohydrazide; α-amylase enzyme.

A series of new N-sulfonohydrazide substituted indazoles I and II [R = Me, Ph, 1-naphthyl, etc.] were synthesized by multistep reaction scheme and assessed for in-vitro α-amylase inhibitory and radical (DPPH and ABTS) scavenging properties. All compounds I and II were fully characterized by different spectroscopic techniques including 1H, 13C NMR, EI-MS, HREI-MS, ESI-MS and HRESI-MS. Compounds I and II showed promising α-amylase inhibitory activities (IC50 = 1.23 ± 0.06-4.5 ± 0.03μM) as compared to the standard acarbose (IC50 1.20 ± 0.09μM). In addition to that all derivatives were found good to moderate scavengers of DPPH (IC50 = 2.01 ± 0.13-5.3 ± 0.11) and ABTS (IC50 = 2.34 ± 0.07-5.5 ± 0.07μM) radicals, in comparison with standard ascorbic acid having scavenging activities with IC50 = 1.99 ± 0.09μM and IC50 = 2.03 ± 0.11μM for DPPH and ABTS radicals. In-silico mol. docking study was conducted to rationalized the binding interaction of α-amylase enzyme with ligands. Compounds were observed as mixed type inhibitors in enzyme kinetic characterization.

Bioorganic Chemistry published new progress about Antioxidants. 22952-32-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O3S, Application In Synthesis of 22952-32-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ngo, Le P.; Owiti, Norah A.; Swartz, Carol; Winters, John; Su, Yang; Ge, Jing; Xiong, Aoli; Han, Jongyoon; Recio, Leslie; Samson, Leona D.; Engelward, Bevin P. published the artcile< Sensitive CometChip assay for screening potentially carcinogenic DNA adducts by trapping DNA repair intermediates>, Related Products of 6055-19-2, the main research area is DNA adduct trapping repair CometChip screening environment carcinogen.

Genotoxicity testing is critical for predicting adverse effects of pharmaceutical, industrial, and environmental chems. The alk. comet assay is an established method for detecting DNA strand breaks, however, the assay does not detect potentially carcinogenic bulky adducts that can arise when metabolic enzymes convert pro-carcinogens into a highly DNA reactive products. To overcome this, we use DNA synthesis inhibitors (hydroxyurea and 1-β-D-arabinofuranosyl cytosine) to trap single strand breaks that are formed during nucleotide excision repair, which primarily removes bulky lesions. In this way, comet-undetectable bulky lesions are converted into comet-detectable single strand breaks. Moreover, we use HepaRG cells to recapitulate in vivo metabolic capacity, and leverage the CometChip platform (a higher throughput more sensitive comet assay) to create the ‘HepaCometChip’, enabling the detection of bulky genotoxic lesions that are missed by current genotoxicity screens. The HepaCometChip thus provides a broadly effective approach for detection of bulky DNA adducts.

Nucleic Acids Research published new progress about Alkaline comet assay. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Related Products of 6055-19-2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gable, Jonathan E.; Lee, Gregory M.; Acker, Timothy M.; Hulce, Kaitlin R.; Gonzalez, Eric R.; Schweigler, Patrick; Melkko, Samu; Farady, Christopher J.; Craik, Charles S. published the artcile< Fragment-Based Protein-Protein Interaction Antagonists of a Viral Dimeric Protease>, HPLC of Formula: 35375-74-7, the main research area is fragment based screening inhibitor binding dimer interface KSHV protease; NMR spectroscopy; dimer disruption; fragment-based screening; human herpesviruses; proteases.

Fragment-based drug discovery has shown promise as an approach for challenging targets such as protein-protein interfaces. We developed and applied an activity-based fragment screen against dimeric Kaposi’s sarcoma-associated herpesvirus protease (KSHV Pr) using an optimized fluorogenic substrate. Dose-response determination was performed as a confirmation screen, and NMR spectroscopy was used to map fragment inhibitor binding to KSHV Pr. Kinetic assays demonstrated that several initial hits also inhibit human cytomegalovirus protease (HCMV Pr). Binding of these hits to HCMV Pr was also confirmed by NMR spectroscopy. Despite the use of a target-agnostic fragment library, more than 80 % of confirmed hits disrupted dimerization and bound to a previously reported pocket at the dimer interface of KSHV Pr, not to the active site. One class of fragments, an aminothiazole scaffold, was further explored using com. available analogs. These compounds demonstrated greater than 100-fold improvement of inhibition. This study illustrates the power of fragment-based screening for these challenging enzymic targets and provides an example of the potential druggability of pockets at protein-protein interfaces.

ChemMedChem published new progress about Enzyme functional sites, inhibitor-binding. 35375-74-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3N2O2, HPLC of Formula: 35375-74-7.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Fang, Xin; Ma, Qiang; Zhang, Kai-Xia; Yao, Song-Yun; Feng, Yi; Jin, Yong-Sheng; Liang, Shuang published the artcile< Synthesis of phthalide derivatives and evaluation on their antiplatelet aggregation and antioxidant activities>, Category: chlorides-buliding-blocks, the main research area is benzothiophenone preparation antiplatelet aggregation antioxidant; Phthalide derivative; antioxidation; antiplatelet aggregation.

Benzothiophenone derivatives I [R1 = R2 = R3 = H, Cl; R4 = Et, n-Pr, i-Pr, (CH2)3CH3, (CH2)4CH3; R5 = H, OH] were designed and synthesized. In vitro antiplatelet aggregation activity screening showed that compound I [R1 = H, R2 = Cl, R3 = H, R4 = Et, R5 = H] could significantly inhibit platelet aggregation induced by arachidonic acid, compared with edaravone (p < 0.01). Meanwhile, oxidative damage models using SH-SY5Y and PC12 cells induced by H2O2 were built to evaluate the antioxidant activity of the benzothiophenone derivatives In SH-SY5Y cells, compared with aspirin, compound I [R1 = R2 = R3 = H, R4 = (CH2)3CH3, R5 = OH] significantly increased the relative cell survival rate (p < 0.05). Compared with edaravone, compound I [R1 = R2 = R3 = H, R4 = (CH2)3CH3, R5 = OH] (p < 0.01) and compound I [R1 = Cl, R2 = R3 = H, R4 = Et, R5 = H] (p < 0.05) significantly increased the relative cell survival rate. In PC12 cells, compound I [R1 = R2 = R3 = H, R4 = (CH2)3CH3, R5 = OH] (p < 0.01), compound I [R1 = Cl, R2 = R3 = H, R4 = Et, R5 = H] (p < 0.01) and compound I [R1 = H, R2 = Cl, R3 = H, R4 = n-Pr, R5 = OH] (p < 0.05) remarkably increased the cell survival rate compared with edaravone. The present study identified lead structures to develop potential anti-ischemic stroke agents. Journal of Asian Natural Products Research published new progress about Antioxidants. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dubuffet, T.; Loutz, A.; Lavielle, G. published the artcile< An efficient large scale synthesis of coumarins by a dealkylative boron-mediated ring closure of 3-(ortho-methoxyaryl)propenoic esters>, HPLC of Formula: 53581-86-5, the main research area is coumarin synthesis; methoxyarylpropenoic ester preparation dealkylative boron mediated ring closure; methoxycinnamate ortho preparation dealkylative boron mediated ring closure.

Various substituted coumarins, e.g. I (R = H, 5-OH, 5-OMe, 6-OH, 8-OH, 6-Br, 7-Cl-6-Br, 6-Cl, 7-Cl, 8-Cl, 6-NO2, 7-F, 6-F), were prepared via a dealkylative boron-mediated ring closure of ortho-methoxycinnamates,e.g. II (R = H, 6-OMe, 5-OMe, 3-OMe, 5-Br, 5-Br-4-Cl, 5-Cl, 4-Cl, 3-Cl, 5-NO2, R1 = Me; R = 4-F, 5-F, R1 = Et).

Synthetic Communications published new progress about Cyclization (dealkylative). 53581-86-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO2, HPLC of Formula: 53581-86-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ghaffari, Samaneh; Esmaeili, Abbas Ali; Khojastehnezhad, Amir published the artcile< One-pot Three-component Synthesis of Novel 1,3,4-Thiadiazole-thiazolo[3,2-a]pyrimidine Derivatives Catalyzed by Molecular Iodine>, Category: chlorides-buliding-blocks, the main research area is thiadiazole thiazolopyrimidine preparation; amino phenyl thiadiazole dihydrothiazolopyrimidine aryl aldehyde three component reaction.

A new and efficient approach has been reported for the synthesis of novel [1,3,4]thiadiazol-thiazolo[3,2-a]pyrimidines, using the one-pot three-component reaction of 2-amino-5-phenyl[1,3,4]thiadiazoles with 2,3-dihydrothiazolo[3,2-a]pyrimidine and aromatic aldehydes. This was done in the presence of mol. iodine in refluxing acetonitrile.

Organic Preparations and Procedures International published new progress about Benzaldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Huang, Lingyu; Xie, Rongrong; Wen, Chaoying; Yang, Yanyan; Wang, Yiwen; Ren, Shiyan; Huang, Bin; Li, Shiqing published the artcile< Decarbonylative/decarboxylative [4 + 2] annulation of phthalic anhydrides and cyclic iodoniums towards triphenylenes>, Related Products of 118-45-6, the main research area is phthalic anhydride diaryliodonium salt palladium catalyst decarbonylative decarboxylative cyclization; triphenylene preparation.

A palladium-catalyzed decarbonylative/decarboxylative [4 + 2] annulation of phthalic anhydrides with cyclic diaryliodonium salts to synthesize triphenylenes was developed. The reaction showed broad substrate scope with a high yield of up to 99%, and it provided an efficient and fast way to access functionalized triphenylenes in only one hour.

Organic & Biomolecular Chemistry published new progress about Cyclization ([4+2], decarbonylative, decarboxylative). 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Related Products of 118-45-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Koyama, Hiroo; Boueres, Julia K.; Miller, Daniel J.; Berger, Joel P.; MacNaul, Karen L.; Wang, Pei-ran; Ippolito, Marc C.; Wright, Samuel D.; Agrawal, Arun K.; Moller, David E.; Sahoo, Soumya P. published the artcile< (2R)-2-Methylchromane-2-carboxylic acids: Discovery of selective PPARα agonists as hypolipidemic agents>, Product Details of C7H4ClF3O, the main research area is chromanecarboxylate preparation PPARalpha hypolipidemic SAR.

A SAR study was conducted on chromane-2-carboxylic acid toward selective PPARα agonism. As a result, highly potent, and selective PPARα agonists were discovered. The optimized compound I exhibited robust lowering of total cholesterol levels in hamster and dog animal models.

Bioorganic & Medicinal Chemistry Letters published new progress about Glycerides Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Product Details of C7H4ClF3O.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wang, Qian; Tao, Quan; Dong, Hui; Ni, Chuanfa; Xie, Xiaoming; Hu, Jinbo published the artcile< Fluorination Triggers Fluoroalkylation: Nucleophilic Perfluoro-tert-butylation with 1,1-Dibromo-2,2-bis(trifluoromethyl)ethylene (DBBF) and CsF>, Recommanded Product: 4-(Bromomethyl)-2-chloro-1-methoxybenzene, the main research area is electrophile fluorination fluoroalkylation dibromo bistrifluoromethylethylene magnetic resonance imaging safety; perfluoro tert butylated compound preparation; fluorination; fluoroalkylation; imaging probes; magnetic resonance imaging; perfluoro-tert-butylation.

Perfluoro-tert-butylation reaction has long remained a challenging task. We now report the use of 1,1-dibromo-2,2-bis(trifluoromethyl)ethylene (DBBF, I) as a practical reagent for perfluoro-tert-butylation reactions for the first time. Through a consecutive triple-fluorination process with DBBF and CsF, the (CF3)3C- species can be liberated and observed, which is able to serve as a robust nucleophilic perfluoro-tert-butylating agent for various electrophiles. The power of this synthetic protocol is evidenced by the efficient synthesis of structurally diverse perfluoro-tert-butylated mols. Multiple applications demonstrate the practicability of this method, as well as the superiority of perfluoro-tert-butylated compounds as sensitive probes. The perfluoro-tert-butylated product was successfully applied in 1H- and 19F-magnetic resonance imaging (MRI) experiment with an ultra-low field (ULF) MRI system.

Angewandte Chemie, International Edition published new progress about Electrophiles. 320407-92-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrClO, Recommanded Product: 4-(Bromomethyl)-2-chloro-1-methoxybenzene.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics