Tag: M.W:100-200

Wu, Jin; Xia, Wu; Lan, Minhuan; Xing, Xue-Jian; Hu, Jun-Chao; Huang, Li; Liu, Jing; Ren, Ying-Yi; Liu, Hongfang; Wang, Feng published an article about the compound: 6-Methylnicotinic acid( cas:3222-47-7,SMILESS:O=C(O)C1=CN=C(C)C=C1 ).Recommanded Product: 6-Methylnicotinic acid. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:3222-47-7) through the article.

An artificial photosynthetic assembly (APA) of a hollow-rod structure was successfully constructed by using synthetic building blocks to mimic the structure and function of natural photosynthetic bacteria. The APA was formed by the incorporation of carbon nanoparticles as light harvesters into an enzyme-like polymer, PEI-Co, containing cobalt complexes as redox catalytic centers. The APA features a bacteria-like shape of ca. 2-3 μm length rods and a hollow structure positioning photosynthetic components at the surface. The APA integrates key components, the light harvester, redox catalyst, and proton relay group, of photosynthetic systems in assemblies formed from a polymeric framework. The APA system in aqueous solution converts protons to H2 under visible light irradiation with obvious advantages. It exhibits a 50-fold improvement in hydrogen production activity and has a broader pH response of photocatalytic H2 production compared with a non-assembled system.

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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Published Erratum, PLoS One called Corrigendum: MPX-004 and MPX-007: new pharmacological tools to study the physiology of NMDA receptors containing the GluN2A subunit [Erratum to document cited in CA168:122429], Author is The PLOS ONE Staff, which mentions a compound: 188781-36-4, SMILESS is O=C(C1=NC(C)=C(Cl)N=C1)O, Molecular C6H5ClN2O2, Recommanded Product: 5-Chloro-6-methylpyrazine-2-carboxylic acid.

There is an error in affiliation 1 for authors Robert A. Volkmann, Christopher M. Fanger, David R. Anderson, Frank S. Menniti. Affiliation 1 should be: Mnemosyne Pharmaceuticals, Inc. (now Luc Therapeutics) 400 Technol. Square, Cambridge, MA 02139, United States of America

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3222-47-7, is researched, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2Journal, Article, Research Support, Non-U.S. Gov’t, Journal of the American Chemical Society called Catalytic Deoxygenative Coupling of Aromatic Esters with Organophosphorus Compounds, Author is Kurosawa, Miki B.; Isshiki, Ryota; Muto, Kei; Yamaguchi, Junichiro, the main research direction is catalytic deoxygenative coupling aromatic ester organophosphorus compound; diaryl phosphine oxide dialkyl phosphonate preparation.COA of Formula: C7H7NO2.

We have developed a deoxygenative coupling of aromatic esters with diarylphosphine oxides/dialkyl phosphonates under palladium catalysis. In this reaction, aromatic esters can work as novel benzylation reagents to give the corresponding benzylic phosphorus compounds The key of this reaction is the use of Ph esters, an electron-rich diphosphine as a ligand, and sodium formate as a hydrogen source. Arylcarboxylic acids were also applicable in this reaction using (Boc)2O as an additive. Palladium/dcype worked to activate the acyl C-O bond of the ester and to support the reduction with sodium formate.

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

HPLC of Formula: 3222-47-7. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Discovery of novel bacterial FabH inhibitors (Pyrazol-Benzimidazole amide derivatives): Design, synthesis, bioassay, molecular docking and crystal structure determination. Author is Wang, Yan-Ting; Shi, Tian-Qi; Fu, Jie; Zhu, Hai-Liang.

The enzyme FabH catalyzes the initial step of fatty acid biosynthesis that is essential for bacterial survival. Therefore, FabH has been identified as an attractive target for the development of new antibacterial agents. We present here the discovery of a promising new series of Pyrazol-Benzimidazole amides with low toxicity and potent FabH inhibitory. Twenty-seven novel compounds have been synthesized, and all the compounds were characterized by 1H NMR, 13C NMR and MS. Afterwards they were evaluated for in-vitro antibacterial activities against E. coli, P. aeruginosa, B. subtilis and S. aureus, along with E. coli FabH inhibition and cytotoxicity test. Some compounds proved to be of low toxicity and potent, especially compound I exhibited the most potential to be a new drug with MIC of 0.49-0.98 μg/mL against the tested bacterial strains and IC50 of 1.22 μM against E. coli FabH. Some analogs with low range MIC against wild type Xanthomonas Campestris exhibited no inhibition against FabH-deficient mutant strain, which firmly proved the class of compounds arrived at antibacterial activity via interacting with FabH. In silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation also pointed out that these compounds are potential for druggability. Further, effective overall docking scores of all the compounds have been recorded, and docking simulation of compound I into E. coli FabH binding pocket has been conducted, where solid binding interactions has been identified.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Chiral Cobalt(III) Tris(1,2-diamine) Catalysts That Incorporate Nitrogenous Base Containing Anions for the Bifunctional Activation of Nucleophiles and Electrophiles in Enantioselective Addition Reactions, the main research direction is chiral diamine cobalt complex preparation; nitroolefin dimethyl malonate cobalt complex catalyst enantioselective Michael addition; ditertiarybutyl azodicarboxylate dicarbonyl compound cobalt catalyst enantioselective Michael addition; bistertiarybutoxycarbonyl hydrazino dicarbonyl compound preparation.Reference of 6-Methylnicotinic acid.

Here, The lipophilic diastereomeric cobalt complexes Λ or Δ-[Co((S,S)-dpen)3]3+ 2Cl-BArf- (Λ or Δ-(S,S)-23+ 2Cl-BArf-; dpen/BArf- = 1,2-diphenylethylenediamine/B(3,5-C6H3(CF3)2)4-) ,salts of nicotinates, isonicotinates, related sulfonates, and N,N-dimethylaminobenzoate were applied addition reactions. The 6-chloronicotinate salt gaves slower rates and lower ee values, and the 6-aminonicotinate salt gave faster rates and higher ee values. The 6-Me, 2-methoxy, and unsubstituted analogs afforded intermediate results. The 6-aminonicotinate catalyst was applied to additions of di-Me malonate to aryl-substituted nitroolefins and additions of 1,3-dicarbonyl compounds to di-t-Bu azodicarboxylate, with average yields/ee values of 90%/85% and 94%/77%, resp. The authors were unaware of other ionic catalysts for which Bronsted bases was productively incorporated into the anions, which were seldom if ever purposefully functionalized in any manner.

After consulting a lot of data, we found that this compound(3222-47-7)Reference of 6-Methylnicotinic acid can be used in many types of reactions. And in most cases, this compound has more advantages.

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

HPLC of Formula: 3222-47-7. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Structure-activity relationship studies of tolfenpyrad reveal subnanomolar inhibitors of Haemonchus contortus development. Author is Le, Thuy G.; Kundu, Abhijit; Ghoshal, Atanu; Nguyen, Nghi H.; Preston, Sarah; Jiao, Yaqing; Ruan, Banfeng; Xue, Lian; Huang, Fei; Keiser, Jennifer; Hofmann, Andreas; Chang, Bill C. H.; Garcia-Bustos, Jose; Wells, Timothy N. C.; Palmer, Michael J.; Jabbar, Abdul; Gasser, Robin B.; Baell, Jonathan B..

Recently, we have discovered that the registered pesticide, tolfenpyrad, unexpectedly and potently inhibits the development of the L4 larval stage of the parasitic nematode Haemonchus contortus with an IC50 value of 0.03 μM while displaying good selectivity, with an IC50 of 37.9 μM for cytotoxicity. As a promising mol. template for medicinal chem. optimization, we undertook anthelmintic structure-activity relationships for this chem. Modifications of the left-hand side (LHS), right-hand side (RHS), and middle section of the scaffold were explored to produce a set of 57 analogs. Analogs I, II, and III were shown to be the most potent compounds of the series, with IC50 values at a subnanomolar level of potency against the chemotherapeutically relevant fourth larval (L4) stage of H. contortus. Selected compounds from the series also showed promising activity against a panel of other different parasitic nematodes, such as hookworms and whipworms.

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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 562074-59-3, is researched, Molecular C7H5ClN2, about Symmetry-based ligand design and evaluation of small molecule inhibitors of programmed cell death-1/programmed death-ligand 1 interaction, the main research direction is immune checkpoint inhibitor surface plasmon resonance PD1 PDL1; Drug design; Immune checkpoint inhibitor; PD-1; PD-L1; Small-molecules; Surface plasmon resonance.Recommanded Product: 562074-59-3.

The development of small mol. inhibitors of PD-1/PD-L1 is eagerly anticipated for treatment of cancer. We focused on the symmetry of the ternary complex structure of reported small mol. ligands and hPD-L1 homodimers, and designed partially- or fully-sym. compounds for more potent inhibitors. The design of the new compounds was guided by our hypothesis that the designed sym. compound would induce a flip of sidechain of ATyr56 protein residue to form a new cavity. The designed compound 4 exhibited substantially increased binding affinity to hPD-L1, as well as PD-1/PD-L1 inhibitory activity in physiol. conditions. Compound 4 also showed a dose-dependent increase in IFN-γ secretion levels in a mixed lymphocyte reaction assay. These results not only indicate the feasibility of targeting the PD-1/PD-L1 pathway with small mols., but illustrate the applicability of the symmetry-based ligand design as an attractive methodol. for targeting protein-protein interaction stabilizers.

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3222-47-7, is researched, SMILESS is O=C(O)C1=CN=C(C)C=C1, Molecular C7H7NO2Journal, Article, ACS Medicinal Chemistry Letters called Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable RORγt Inverse Agonists, Author is Nakajima, Ryota; Oono, Hiroyuki; Sugiyama, Sakae; Matsueda, Yohei; Ida, Tomohide; Kakuda, Shinji; Hirata, Jun; Baba, Atsushi; Makino, Akito; Matsuyama, Ryo; White, Ryan D.; Wurz, Ryan Ρ.; Shin, Youngsook; Min, Xiaoshan; Guzman-Perez, Angel; Wang, Zhulun; Symons, Antony; Singh, Sanjay K.; Mothe, Srinivasa Reddy; Belyakov, Sergei; Chakrabarti, Anjan; Shuto, Satoshi, the main research direction is nuclear receptor RORyt triazolopyridine inverse agonist SAR pharmacokinetics.Application In Synthesis of 6-Methylnicotinic acid.

The retinoic acid receptor-related orphan nuclear receptor γt (RORγt), a promising therapeutic target, is a major transcription factor of genes related to psoriasis pathogenesis such as interleukin (IL)-17A, IL-22, and IL-23R. On the basis of the X-ray cocrystal structure of RORγt with 1a, an analog of the known piperazine RORγt inverse agonist 1, triazolopyridine derivatives of 1 were designed and synthesized, and analog 3a was found to be a potent RORγt inverse agonist. Structure-activity relationship studies on 3a, focusing on the treatment of its metabolically unstable cyclopentyl ring and the central piperazine core, led to a novel analog, namely, 6-methyl-N-(7-methyl-8-(((2S,4S)-2-methyl-1-(4,4,4-trifluoro-3-(trifluoromethyl)butanoyl)piperidin-4-yl)oxy)[1,2,4]triazolo[1,5-a]pyridin-6-yl)nicotinamide (5a), which exhibited strong RORγt inhibitory activity and a favorable pharmacokinetic profile. Moreover, the in vitro and in vivo evaluation of 5a in a human whole-blood assay and a mouse IL-18/23-induced cytokine expression model revealed its robust and dose-dependent inhibitory effect on IL-17A production

Although many compounds look similar to this compound(3222-47-7)Application In Synthesis of 6-Methylnicotinic acid, numerous studies have shown that this compound(SMILES:O=C(O)C1=CN=C(C)C=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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

Recommanded Product: 3222-47-7. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Versatile {Cp2Ti} Grafted Hetero-Polyoxotungstate Clusters: Synthesis, Crystal Structure, and Photocurrent Properties. Author is Singh, Vikram; Liu, Shuang; Ma, Pengtao; Drew, Michael G. B.; Wang, Jingping; Niu, Jingyang.

Polyoxotungstate supported titanocene {Cp2Ti}2+ clusters H6{K8(Cp2Ti)2P4W24O88(PO4)2}·14H2O (1), H6[Na2P4W14O58(Cp2Ti)2]·12H2O (2), and H2[K6{Cp2Ti}{PW9O33(WO2)}2{NC5H3(COOK)2}(NC5H3(CH3)COOK)·22H2O] (3) have been synthesized, and their single crystal x-ray structures have revealed unprecedented and intriguing structural features. The synthesized compounds have been characterized by various spectroscopic techniques including UV-vis, cyclic voltammogram, NMR, ESI-MS, and inductive coupled plasma spectroscopy (ICP) in solution and also by IR, TGA, and diffuse reflectance in the solid state. Clusters 1 and 2 are rare examples of lacunary POM supported titanocene clusters obtained by incorporating various phosphorus heteroatoms to form elusive phosphotungstate assemblies, whereas 3 is an unprecedented organometallic as well as heteroleptic pyridyl functionalized POM. Clusters 1-3 show transient photocurrent ON/OFF behavior upon UV-light irradiation and also exhibit characteristic TiIV/III intravalence electron transfer. This behavior is also established by their cyclic voltammograms in mixed phosphate buffers (Na2HPO4/NaH2PO4) which show the evidence of POM supported {Cp2Ti}2+/+ species in their redox solution Furthermore, ESR line broadening is also observed in these clusters at room temperature, a fact which also confirms the formation of partially reduced/oxidized {Cp2Ti}2+/+ species leading to TiIV/III intravalence electron transfers within all three clusters. The {Cp2Ti}2+ decorated polyoxometalate cluster 3 shows improved transient photocurrent behavior which may be due to the presence of pyridyl carboxyl ions which provide better surface contact for the cluster mol. through the carboxylate moiety to the ITO electrode.

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

HPLC of Formula: 188781-36-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-Chloro-6-methylpyrazine-2-carboxylic acid, is researched, Molecular C6H5ClN2O2, CAS is 188781-36-4, about MPX-004 and MPX-007: new pharmacological tools to study the physiology of nmda receptors containing the GluN2A subunit. Author is Volkmann, Robert A.; Fanger, Christopher M.; Anderson, David R.; Sirivolu, Venkata Ramana; Paschetto, Kathy; Gordon, Earl; Virginio, Caterina; Gleyzes, Melanie; Buisson, Bruno; Steidl, Esther; Mierau, Susanna B.; Fagiolini, Michela; Menniti, Frank S..

GluN2A is the most abundant of the GluN2 NMDA receptor subunits in the mammalian CNS. Physiol. and genetic evidence implicate GluN2A-containing receptors in susceptibility to autism, schizophrenia, childhood epilepsy and neurodevelopmental disorders such as Rett Syndrome. However, GluN2A-selective pharmacol. probes to explore the therapeutic potential of targeting these receptors have been lacking. Here we disclose a novel series of pyrazine-containing GluN2A antagonists exemplified byMPX-004 (5-(((3-chloro-4-fluorophenyl) sulfonamido)methyl)-N-((2-methylthiazol-5-yl)methyl)pyrazine-2-carboxamide) and MPX- 007 (5-(((3-fluoro-4-fluorophenyl)sulfonamido)methyl)-N-((2-methylthiazol-5-yl)methyl) methylpyrazine-2-carboxamide). MPX-004 and MPX-007 inhibit GluN2A-containing NMDA receptors expressed in HEK cells with IC50s of 79 nM and 27 nM, resp. In contrast, at concentrations that completely inhibited GluN2A activity these compounds have no inhibitory effect on GluN2B or GluN2D receptor-mediated responses in similar HEK cell-based assays. Potency and selectivity were confirmed in electrophysiol. assays in Xenopus oocytes expressing GluN2A-D receptor subtypes. Maximal concentrations of MPX-004 and MPX-007 inhibited ∼30%of the whole-cell current in rat pyramidal neurons in primary culture and MPX- 004 inhibited ∼60% of the total NMDA receptor-mediated EPSP in rat hippocampal slices. GluN2A-selectivity at native receptors was confirmed by the finding that MPX-004 had no inhibitory effect on NMDA receptor mediated synaptic currents in cortical slices from GRIN2A knock out mice. Thus, MPX-004 and MPX-007 offer highly selective pharmacol. tools to probe GluN2A physiol. and involvement in neuropsychiatric and developmental disorders.

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