Month: November 2022

On April 30, 2018, Wang, Shihui; Li, Haiyan; Wang, Yue; Gao, Yang; Yu, Shanshan; Zhao, Qianqian; Jin, Xiangqun; Lu, Haibin published an article.Recommanded Product: 1949837-12-0 The title of the article was Design and synthesis of proteolysis targeting chimeras for inducing brd4 protein degradation. And the article contained the following:

In this paper, we synthesized a series of proteolysis targeting chimeras(PROTACs) using VHL E3 ligase ligands for BRD4 protein degradation One of the most promising compound 19g exhibited robust potency of BRD4 inhibition with IC50 value of (18.6±1.3) nmol/L, resp. Furthermore, compound 19g potently inhibited cell proliferation in BRD4-sensitive cell lines RS4;11 with IC50 value of (34.2±4.3) nmol/L and capable of inducing de-gradation of BRD4 protein at 0.4-0.6μmol/L in the RS4;11 leukemia cells. These data show that compound 19g is a highly potent and efficacious BRD4 degrader. The experimental process involved the reaction of (2S,4R)-1-((2S)-2-(tert-butyl)-15-((6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,14-dioxo-6,10-dioxa-3,13-diazapentadecan-1-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide(cas: 1949837-12-0).Recommanded Product: 1949837-12-0

The Article related to leukemia cell brd4 protein degradation proteolysis targeting chimera, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Recommanded Product: 1949837-12-0

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

On June 28, 2016, Raina, Kanak; Lu, Jing; Qian, Yimin; Altieri, Martha; Gordon, Deborah; Rossi, Ann Marie K.; Wang, Jing; Chen, Xin; Dong, Hanqing; Siu, Kam; Winkler, James D.; Crew, Andrew P.; Crews, Craig M.; Coleman, Kevin G. published an article.Application of 1949837-12-0 The title of the article was PROTAC-induced BET protein degradation as a therapy for castration-resistant prostate cancer. And the article contained the following:

Prostate cancer has the second highest incidence among cancers in men worldwide and is the second leading cause of cancer deaths of men in the United States. Although androgen deprivation can initially lead to remission, the disease often progresses to castration-resistant prostate cancer (CRPC), which is still reliant on androgen receptor (AR) signaling and is associated with a poor prognosis. Some success against CRPC has been achieved by drugs that target AR signaling, but secondary resistance invariably emerges, and new therapies are urgently needed. Recently, inhibitors of bromodomain and extra-terminal (BET) family proteins have shown growth-inhibitory activity in preclin. models of CRPC. Here, we demonstrate that ARV-771, a small-mol. pan-BET degrader based on proteolysis-targeting chimera (PROTAC) technol., demonstrates dramatically improved efficacy in cellular models of CRPC as compared with BET inhibition. Unlike BET inhibitors, ARV-771 results in suppression of both AR signaling and AR levels and leads to tumor regression in a CRPC mouse xenograft model. This study is, to our knowledge, the first to demonstrate efficacy with a small-mol. BET degrader in a solid-tumor malignancy and potentially represents an important therapeutic advance in the treatment of CRPC. The experimental process involved the reaction of (2S,4R)-1-((2S)-2-(tert-butyl)-15-((6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,14-dioxo-6,10-dioxa-3,13-diazapentadecan-1-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide(cas: 1949837-12-0).Application of 1949837-12-0

The Article related to bromodomain extra terminal protein, bet, brd4, protac, prostate, protein degradation, Pharmacology: Effects Of Neoplasm Inhibitors and Cytotoxic Agents and other aspects.Application of 1949837-12-0

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

On August 14, 2020, Yadav, Chetna; Maka, Vijay Kumar; Payra, Soumen; Moorthy, Jarugu Narasimha published an article.Recommanded Product: 5301-96-2 The title of the article was De Novo Access to SO3H-Grafted Porous Organic Polymers (POPs@H): Synthesis of Diarylbenzopyrans/Naphthopyrans and Triazoles by Heterogeneous Catalytic Cyclocondensation and Cycloaddition Reactions. And the article contained the following:

Covalent polymerization of contrived mol. building blocks leads to porous organic polymers (POPs) with intrinsic. Leveraging the results of our extensive investigations with mol. systems based on twisted biaryl scaffold as applied to metal-organic frameworks (MOFs) and organic light-emitting diodes (OLEDs), we envisioned that the Fridel-Crafts polyalkylation of the 2,2′,6,6′-tetramethylbiphenyl core with α,α’-dichloro-p-xylene should lead to a hypercrosslinked polymer with assured porosity. Furthermore, sulfonation of the latter in a postsynthetic fashion was surmised to yield a POP grafted with sulfonic acid groups for catalysis. Indeed, the polyalkylation of tetramethylbiphenyl led to a highly porous POP (MeBP) with a BET surface area of 1277 m2 g-1. Also, its sulfonated derivative (MeBP@H) exhibited a surface area of 766 m2 g-1, as determined by N2 sorption anal. Polymer MeBP@H with palpable porosity and endowed with Bronsted acid sites installed through sulfonation was explored for the heterogeneous catalysis of cyclocondensation and cycloaddition reactions in a recyclable fashion. We show that MeBP@H exhibits exceptionally high catalytic activity in the synthesis of a wide variety of photochromic diarylbenzopyrans/naphththopyrans and pharmacol. relevant triazoles at room temperature Diverse functional groups are shown to be tolerated in both condensation and cycloaddition reactions. The catalyst is found to be efficient for the synthesis of triazoles having both electron-rich and electron-poor functionalities. Although a variety of methods are known in the literature for the synthesis of both diarylbenzopyrans/naphthopyrans and triazoles, MeBP@H allows the reactions to be conducted in shorter reaction times and very cleanly, leading to the isolation of products with high operational simplicity. The catalyst can be isolated back by filtration and recycled; indeed, MeBP@H is shown to be recycled for at least 10 catalytic cycles for both reactions without any loss of efficiency. Addnl., MeBP and MeBP@H are found to exhibit higher uptake capacities for CO2 and C2H2 over N2 at 298 K and inverse uptake capacity for C2H2 over CO2. The experimental process involved the reaction of 4-(p-Tolyl)-1H-1,2,3-triazole(cas: 5301-96-2).Recommanded Product: 5301-96-2

The Article related to diarylbenzopyran naphthopyran triazole heterogeneous catalytic cyclocondensation cycloaddition, Chemistry of Synthetic High Polymers: Ring-Opening and Other Polymerizations and other aspects.Recommanded Product: 5301-96-2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

On August 26, 2021, Wiles, Jason Allan; Gadhachanda, Venkat Rao published a patent.Application In Synthesis of Methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate The title of the patent was Preparation of pyrimidine-containing compounds for the treatment of Complement factor D – mediated disorders. And the patent contained the following:

The invention relates to preparation of pyrimidine-containing compounds of formulas (I) and (II) or pharmaceutically acceptable salts thereof, as inhibitors of complement factor D. Compounds I and II wherein R1 is halo or C1-2 haloalkyl; R2 is H, halo, C1-3 haloalkyl, etc.; R3 is halo, C1-3 alkyl, or C1-3 haloalkyl; R4 and R5 each independently is H, halo, CN, etc., are claimed. Compds I and II are targeting complement factor D, and inhibit or regulate the complement cascade. The example compound III was prepared via 3-step synthesis using (1R,2S,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid as starting material (procedure given). Compounds I and II are inhibitors of factor D, and reducers of the excessive activation of complement (data given). Compounds I and II can be useful in treatment of Complement factor D – mediated disorders. The experimental process involved the reaction of Methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate(cas: 1159811-32-1).Application In Synthesis of Methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

The Article related to pyrimidine preparation complement d disease treatment, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Application In Synthesis of Methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Li, Yan; Li, Zhilin; Zhang, Zhiqiang published an article in 2021, the title of the article was Mechanism and regio- and stereoselectivity in an NHC-catalyzed Mannich/lactamization domino reaction.Formula: C21H24BF4N3 And the article contains the following content:

D. functional theory (DFT) calculations (M06-2X) have been employed to disclose the mechanisms and regio- and stereo-selectivities of the N-heterocyclic carbene (NHC)-catalyzed reaction of 2-benzothiazolimines and α-chloroaldehydes. The preferred mechanism is initiated by the nucleophilic attack of NHC on α-chloroaldehyde (first step), followed by 1,2-proton transfer which was assisted by the Bronsted acid DABCO·H+ to generate the Breslow intermediate (second step). The cleavage of the C-Cl bond (third step) and deprotonation (fourth step) form the enolate intermediate. This further reacts with 2-benzothiazolimine which leads to the formation of a new C-C bond (fifth step). Subsequent cyclization takes place via the formation of a new C-N bond (sixth step). Catalyst regeneration completes the whole catalytic cycle and affords the final product (seventh step). The DFT results indicate that the fifth step determines the stereochem. of the reaction and leads to benzothiazolopyrimidinone with the SS configuration, which agrees well with exptl. observations. Intramol. cyclization is found to be the regioselectivity-determining step, for which the [4+2] annulation pathway is more preferred than that via [2+2] annulation, which again agrees well with exptl. observations. Based on the mechanism proposed, the origins of regio- and stereoselectivities have also been investigated by performing distortion/interaction, natural bond orbital (NBO) and non-covalent interaction (NCI) analyses. The mechanistic insights gained in this work should be helpful in the rational design of potential catalysts for analogous reactions. The experimental process involved the reaction of (R)-5-Benzyl-2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate(cas: 1469801-67-9).Formula: C21H24BF4N3

The Article related to heterocyclic carbene catalyst mannich lactamization mechanism, Physical Organic Chemistry: Ring Formation, Cleavage, Enlargement, and Contraction and other aspects.Formula: C21H24BF4N3

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Hauptmann, Siegfried; Wilde, Horst published an article in 1976, the title of the article was Substituent effects on the polarographic reduction of 1-amino-4-aryl-1,2,3-triazoles and 1H-4-aryl-1,2,3-triazoles.Formula: C9H9N3 And the article contains the following content:

Cathodic half-wave potentials (E1/2) for I (R = NH2, H; X = p-F, p-Cl, p-Br, p-Me, etc.), determined in MeCN at 20°, were between -2.1 and -2.6 V. Linear relations were found between E1/2 and the π-electron d. at C(5), as well as Hammett σ values. Pos. ρ values indicate a nucleophilic mechanism. The experimental process involved the reaction of 4-(p-Tolyl)-1H-1,2,3-triazole(cas: 5301-96-2).Formula: C9H9N3

The Article related to reduction electrochem triazole mechanism, reaction constant electrochem reduction, Physical Organic Chemistry: Oxidation-Reduction Reactions (Including Hydrogenation) and other aspects.Formula: C9H9N3

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Shibl, Mohamed F.; Elroby, Shabaan A. K.; Hilal, Rifaat H. published an article in 2011, the title of the article was Solvent and substituent effects on the electronic structures of triazoles: computational study.Reference of 4-(p-Tolyl)-1H-1,2,3-triazole And the article contains the following content:

The tautomerization reaction of 1,2,3-triazole and some of its derivatives was studied and the transition states were located. The anal. of results indicates that 2H-triazole is more stable than the 1H-tautomer in all studied compounds in gas phase and in solution The p detachment energies and the geometries of the compounds studied were analyzed using d. functional theory (DFT) and Hartree-Fock (HF) methods in gas phase and solution Deprotonation takes place in all cases studied by the detachment of N-H p. The solvent effect on the stability the tautomeric and anion forms of studied compounds was examined using B3LYP/6-31G* level of theory by applying the polarizable continuum model. The experimental process involved the reaction of 4-(p-Tolyl)-1H-1,2,3-triazole(cas: 5301-96-2).Reference of 4-(p-Tolyl)-1H-1,2,3-triazole

The Article related to solvent substituent effect electronic structure triazole tautomerization, dft hartree fock transition state benzotriazole tautomerization, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.Reference of 4-(p-Tolyl)-1H-1,2,3-triazole

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

On May 1, 2020, Liu, Bin; Song, Runjiang; Xu, Jun; Majhi, Pankaj Kumar; Yang, Xing; Yang, Song; Jin, Zhichao; Chi, Yonggui Robin published an article.Product Details of 1469801-67-9 The title of the article was Access to Optically Enriched α-Aryloxycarboxylic Esters via Carbene-Catalyzed Dynamic Kinetic Resolution and Transesterification. And the article contained the following:

Optically active α-aryloxycarboxylic acids and their derivatives were important functional mols. A carbene-catalyzed dynamic kinetic resolution and transesterification reaction for access to this class of mols. with up to 99% yields and 99:1 er values. Addition of a chiral carbene catalyst to the ester substrate leads to two diastereomeric azolium ester intermediates that could be quickly epimerize to each other and thus allowed for effective dynamic kinetic resolution to be realized. The optically enriched ester products I [R = Me, Et, i-Pr, etc.; Ar = Ph, 4-MeC6H4, 2-ClC6H4, etc.; Ar1 = 1-naphthyl] from our reaction could be quickly transformed to chiral herbicides and other bioactive mols. The experimental process involved the reaction of (R)-5-Benzyl-2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate(cas: 1469801-67-9).Product Details of 1469801-67-9

The Article related to aryloxycarboxylic ester enantioselective preparation, aryloxy ester naphthalenemethanol transesterification, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Esters, Acyl Peroxides, Acyl Halides and other aspects.Product Details of 1469801-67-9

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Kim, Ji Dang; Palani, Thiruvengadam; Kumar, Manian Rajesh; Lee, Sunwoo; Choi, Hyun Chul published an article in 2012, the title of the article was Preparation of reusable Ag-decorated graphene oxide catalysts for decarboxylative cycloaddition.Related Products of 5301-96-2 And the article contains the following content:

In this study, we demonstrated a noble Ag-decorated graphene oxide catalyst (GOSH-Ag) for use in the decarboxylative cycloaddition reaction. The catalyst was easily prepared by depositing Ag nanoparticles on thiolated graphene oxide (GOSH) surfaces. Transmission electron microscopy (TEM) indicated that the nanoparticles were well-dispersed and of a small, approx. 3.7 nm average size. These characteristics resulted in a high surface area, which enhanced the catalytic activity of the supported catalyst. Moreover, it was found that the aggregation of Ag catalysts was inhibited by the strong adhesion between the GOSHs and the Ag nanoparticles during the chem. reactions, thereby permitting their reuse. Indeed, the supported catalyst could easily be separated and recovered from the reaction mixture and reused several times. The experimental process involved the reaction of 4-(p-Tolyl)-1H-1,2,3-triazole(cas: 5301-96-2).Related Products of 5301-96-2

The Article related to reusable silver graphene oxide catalyst decarboxylative cycloaddition, Industrial Organic Chemicals, Leather, Fats, and Waxes: Manufacture Of Industrial Organic Chemicals and other aspects.Related Products of 5301-96-2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

On November 23, 2016, Wu, Luyong; Wang, Xianghui; Hui, Yang; Lin, Qiang; Huang, Qinglan; Tan, Zhiqiang published a patent.COA of Formula: C9H9N3 The title of the patent was Synthetic method of NH-1,2,3-triazole compound. And the patent contained the following:

The present invention relates to synthetic method of NH-1,2,3-triazole. The method comprises the steps of: carrying out one-pot reaction of aldehyde, nitro compound, sodium azide, solvent and additive for 1-8 h at 80-150 °C, and carrying out post treatment after reaction to obtain NH-1,2,3-triazole. With cheap and easily available aldehyde, nitro compound and sodium azide as raw materials, NH-1,2,3-triazole compound is easily prepared The experimental process involved the reaction of 4-(p-Tolyl)-1H-1,2,3-triazole(cas: 5301-96-2).COA of Formula: C9H9N3

The Article related to synthetic triazole compound, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.COA of Formula: C9H9N3

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics