Tag: M.W=100-200

Recommanded Product: tert-Butyl 2-cyanoacetate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about The GABAB receptor positive allosteric modulator COR659: In vitro metabolism, in vivo pharmacokinetics in rats, synthesis and pharmacological characterization of metabolically protected derivatives. Author is Ferlenghi, Francesca; Maccioni, Paola; Mugnaini, Claudia; Brizzi, Antonella; Fara, Federica; Mostallino, Rafaela; Paola, Castelli M.; Colombo, Giancarlo; Mor, Marco; Vacondio, Federica; Corelli, Federico.

We report an in vitro phase I metabolism study on COR659 (1), a 2-acylaminothiophene derivative able to suppress alc. and chocolate self-administration in rats, likely via pos. allosteric modulation of the GABAB receptor and antagonism/inverse agonism at the cannabinoid CB1 receptor. High performance liquid chromatog. coupled to tandem and high resolution mass spectrometry was employed for the characterization of in vitro metabolism and in vivo pharmacokinetics of COR659 in rats. In vitro [35S]GTPγS binding assays on stimulated GABAB and CB1 receptors, in combination with alc. and chocolate self-administration experiments in rats, were employed to assess the pharmacol. profile of this novel set of analogs, using COR659 as reference compound Eight metabolites of COR659 were discovered in liver microsomal incubates; two of them (M1, M2) were identified by comparison with synthetic reference standards In the novel set of COR659 analogs, those bearing branched alkyl substituents on the ester group, showed an improved in vitro metabolic stability (2-4), had an in vitro GABAB PAM (2-4) and/or CB1 partial agonist/antagonist profile (2-3) and maintained the ability to reduce alc. (2-4) and/or chocolate (4) self-administration in rats. Both PK and PD data ruled out any involvement of metabolite M1 in the in vivo potency of COR659 and 4. The present results, therefore, highlight the importance to design and synthesize novel compounds endowed with the dual activity profile and devoid of metabolic liabilities.

Although many compounds look similar to this compound(1116-98-9)Recommanded Product: tert-Butyl 2-cyanoacetate, numerous studies have shown that this compound(SMILES:O=C(OC(C)(C)C)CC#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

SDS of cas: 1116-98-9. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about The role of the π-bridge length in the performance of diketopyrrolopyrrole-based organic dyes for dye-sensitized solar cells.

Three novel diketopyrrolopyrrole-based metal-free organic dyes (TPh, BPh and SPh) with different π-bridge lengths were designed and synthesized for dye-sensitized solar cells (DSSCs). The Ph units were employed as the addnl. π-bridge for the three dyes, which located between the diketopyrrolopyrrole core and cyanoacrylic acid unit. Interestingly, it is the first time to report a diketopyrrolopyrrole-based dye with only one addnl. π-bridge unit (SPh). The effects of π-bridge length on photophys., mol. planarity, energy level and photovoltaic properties of the dyes were systematically investigated. The results revealed that the prolongation of π-bridge length by introducing an addnl. Ph unit results in an extra torsion in the structural framework and reduces the mol. planarity, which has a neg. impact on improving the light-harvesting ability, while it is beneficial in lowering the tendency of aggregation and enhancing the excited electron injection efficiency. Finally, with a moderate π-bridge length (BPh), the best balance of overall performances is achieved, resulting in the highest power conversion efficiency (6.57%) without chenodeoxycholic acid.

Although many compounds look similar to this compound(1116-98-9)SDS of cas: 1116-98-9, numerous studies have shown that this compound(SMILES:O=C(OC(C)(C)C)CC#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Heterodinuclear Pt(IV)-Ru(II) anticancer prodrugs to combat both drug resistance and tumor metastasis.Name: 3-Pyridinepropionic acid.

A novel approach to design bimetallic anticancer drug candidates with the capability to combat both drug resistance and tumor metastasis is reported. These water-soluble bifunctional Pt(IV)-Ru(II) heterodinuclear ruthplatin complexes with a unique mode of action display up to 2-orders of magnitude enhanced cytotoxicity in cisplatin-resistant cells and significantly impede cancer cell migration.

Although many compounds look similar to this compound(3724-19-4)Name: 3-Pyridinepropionic acid, numerous studies have shown that this compound(SMILES:OC(=O)CCC1=CC=CN=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Amyloidogenic immunoglobulin light chain kinetic stabilizers comprising a simple urea linker module reveal a novel binding sub-site.Application of 3724-19-4.

In Ig light chain (LC) amyloidosis, the misfolding, or misfolding and misassembly of LC a protein or fragments thereof resulting from aberrant endoproteolysis, causes organ damage to patients. A small mol. “”kinetic stabilizer”” drug could slow or stop these processes and improve prognosis. We previously identified coumarin-based kinetic stabilizers of LCs that can be divided into four components, including a “”linker module”” and “”distal substructure””. Our prior studies focused on characterizing carbamate, hydantoin, and spirocyclic urea linker modules, which bind in a solvent-exposed site at the VL-VL domain interface of the LC dimer. Here, we report structure-activity relationship data on 7-diethylamino coumarin-based kinetic stabilizers. This substructure occupies the previously characterized “”anchor cavity”” and the “”aromatic slit””. The potencies of amide and urea linker modules terminating in a variety of distal substructures attached at the 3-position of this coumarin ring were assessed. Surprisingly, crystallog. data on a 7-diethylamino coumarin-based kinetic stabilizer reveals that the urea linker module and distal substructure attached at the 3-position bind a solvent-exposed region of the full-length LC dimer distinct from previously characterized sites. Our results further elaborate the small-mol. binding surface of LCs that could be occupied by potent and selective LC kinetic stabilizers.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Cox, Robert M.; Toots, Mart; Yoon, Jeong-Joong; Sourimant, Julien; Ludeke, Barbara; Fearns, Rachel; Bourque, Elyse; Patti, Joseph; Lee, Edward; Vernachio, John; Plemper, Richard K. published an article about the compound: (6-Chloropyridin-2-yl)methanamine( cas:188637-75-4,SMILESS:NCC1=NC(Cl)=CC=C1 ).Related Products of 188637-75-4. 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:188637-75-4) through the article.

Respiratory syncytial virus (RSV) represents a significant health threat to infants and to elderly or immunocompromised individuals. There are currently no vaccines available to prevent RSV infections, and disease management is largely limited to supportive care, making the identification and development of effective antiviral therapeutics against RSV a priority. To identify effective chem. scaffolds for managing RSV disease, we conducted a high-throughput anti-RSV screen of a 57,000-compound library. We identified a hit compound that specifically blocked activity of the RSV RNA-dependent RNA polymerase (RdRp) complex, initially with moderate low-micromolar potency. Mechanistic characterization in an in vitro RSV RdRp assay indicated that representatives of this compound class block elongation of RSV RNA products after initial extension by up to three nucleotides. Synthetic hit-to-lead exploration yielded an informative 3D quant. structure-activity relationship (3D-QSAR) model and resulted in analogs with more than 20-fold improved potency and selectivity indexes (SIs) of >1,000. However, first-generation leads exhibited limited water solubility and poor metabolic stability. A second optimization strategy informed by the 3D-QSAR model combined with in silico pharmacokinetics (PK) predictions yielded an advanced lead, AVG-233, that demonstrated nanomolar activity against both laboratory-adapted RSV strains and clin. RSV isolates. This anti-RSV activity extended to infection of established cell lines and primary human airway cells. PK profiling in mice revealed 34% oral bioavailability of AVG-233 and sustained high drug levels in the circulation after a single oral dose of 20 mg/kg. This promising first-in-class lead warrants further development as an anti-RSV drug.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Formula: C7H11NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Synthesis and styrene copolymerization of novel alkyl ring-substituted t-butyl phenylcyanoacrylates. Author is Ibrahim, Daniah H.; Abu-Alrob, Tarick; Agoytia, Maria; Butterfield, John K.; Devine, Maura K.; Dinh, Jennifer Y.; Donis, Angelo R.; Folkes, Kristen A.; Khan, Firyal M.; Shishem, Caroline J.; Rocus, Sara M.; Schjerven, William S.; Kharas, Gregory B..

Novel alkyl ring-substituted tert-Bu phenylcyanoacrylates, RPhCH:C(CN)CO2C(CH3)3 (R = H, 2-Me, 3-Me, 4-Me, 2-Et, 4-Et, 4Pr, 4-CHMe2, 4-Bu, 4-i-butyl) were prepared and copolymerized with styrene. The acrylates were synthesized by the piperidine catalyzed Knoevenagel condensation of ring-substituted benzaldehydes and tert-Bu cyanoacetate, and characterized by CHN anal., IR, 1H and 13C NMR. All the ethylenes were copolymerized with styrene in solution with radical initiation (ABCN) at 70°. The compositions of the copolymers were calculated from N anal.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Quality Control of (6-Chloropyridin-2-yl)methanamine. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (6-Chloropyridin-2-yl)methanamine, is researched, Molecular C6H7ClN2, CAS is 188637-75-4, about Discovery of “”Molecular Switches”” within a Series of mGlu5 Allosteric Ligands Driven by a “”Magic Methyl”” Effect Affording Both PAMs and NAMs with In Vivo Activity, Derived from an M1 PAM Chemotype. Author is Barbaro, Lisa; Rodriguez, Alice L.; Blevins, Ashlyn N.; Dickerson, Jonathan W.; Billard, Natasha; Boutaud, Olivier; Rook, Jerri L.; Niswender, Colleen M.; Conn, P. Jeffrey; Engers, Darren W.; Lindsley, Craig W..

In the course of optimizing an M1 PAM chemotype, introduction of an ether moiety unexpectedly abolished M1 PAM activity while engendering a “”mol. switch”” to afford a weak, pure mGlu5 PAM. Further optimization was able to deliver a potent I [R = (5-fluoro-2-pyridyl), 3-methyl-2-pyridyl, etc.] (mGlu5 EC50 = 520 nM, 63% Glu Max), centrally penetrant (Kp = 0.83), MPEP-site binding mGlu5PAM I [R = (5-fluoro-2-pyridyl)] (VU6036486) that reversed amphetamine-induced hyperlocomotion. A pronounced “”magic methyl”” effect was noted with a regioisomeric Me congener, leading to a change in pharmacol. to afford a potent II [R1 = 3-pyridyl, (5-methyl-3-pyridyl), (4-methyl-3-pyridyl), etc] (mGlu5 IC50 = 110 nM, 3% Glu Min), centrally penetrant (Kp = 0.94), MPEP-site binding NAM II [R1 = 3-pyridyl] (VU6044766) that displayed anxiolytic activity in a mouse marble burying assay. These data further support the growing body of literature concerning the existence of G protein-coupled receptor (GPCR) allosteric privileged structures, and the value and impact of subtle Me group walks, as well as the highly productive fluorine walk, around allosteric ligand cores to stabilize unique GPCR conformations.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Pyridinepropionic acid( cas:3724-19-4 ) is researched.Category: imidazoles-derivatives.Bay, Anna V.; Fitzpatrick, Keegan P.; Gonzalez-Montiel, Gisela A.; Farah, Abdikani Omar; Cheong, Paul Ha-Yeon; Scheidt, Karl A. published the article 《Light-Driven Carbene Catalysis for the Synthesis of Aliphatic and α-Amino Ketones》 about this compound( cas:3724-19-4 ) in Angewandte Chemie, International Edition. Keywords: aliphatic amino ketone preparation; acyl imidazole amino acid benzyl Hantzsch ester benzylation; carbene; catalysis; density functional theory; late-stage functionalization; photochemistry. Let’s learn more about this compound (cas:3724-19-4).

Single-electron N-heterocyclic carbene (NHC) catalysis has gained attention recently for the synthesis of C-C bonds. Guided by d. functional theory and mechanistic analyses, authors report the light-driven synthesis of aliphatic and α-amino ketones using single-electron NHC operators. Computational and exptl. results reveal that the reactivity of the key radical intermediate is substrate-dependent and can be modulated through steric and electronic parameters of the NHC. Catalyst potential is harnessed in the visible-light driven generation of an acyl azolium radical species that underwent selective coupling with various radical partners to afford diverse ketone products. This methodol. is showcased in the direct late-stage functionalization of amino acids and pharmaceutical compounds, highlighting the utility of single-electron NHC operators.

Compounds in my other articles are similar to this one(3-Pyridinepropionic acid)Category: imidazoles-derivatives, you can compare them to see their pros and cons in some ways,such as convenient, effective and so on.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Martinez, Roberto; Espitia-Pinzon, Clara I.; Silva Miranda, Mayra; Chavez-Santos, Rosa Maria; Pretelin-Castillo, Gustavo; Ramos-Orea, Aldahir; Hernandez-Baez, Angela M.; Cotlame-Perez, Sandra; Pedraza-Rodriguez, Rogelio researched the compound: Methyl 5-chlorofuran-2-carboxylate( cas:58235-81-7 ).Reference of Methyl 5-chlorofuran-2-carboxylate.They published the article 《Synthesis and antituberculosis activity of new acylthiosemicarbazides designed by structural modification》 about this compound( cas:58235-81-7 ) in Drug Development Research. Keywords: benzamidocarbamothioyl pyridinecarboxamide preparation antituberculosis activity SAR; acylthiosemicarbazides; antituberculosis agents; design; isosteric modification; synthesis. We’ll tell you more about this compound (cas:58235-81-7).

Acylthiosemicarbazides I [R = 5-nitro-1H-pyrrol-2-yl, 4-chlorophenyl, 5-nitrofuran-2-yl, etc.; R1 = 5-chloropyrrol-2-oyl, 4-chlorophenyl, 3,4-dichlorophenyl, etc.] were designed by structural modification of lead N-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)5-nitrofuran-2-carboxamide. The syntheses of I involve a five-step procedure starting from carboxylic acids. Compounds I were tested against three Mycobacterium tuberculosis strains to measure their inhibitory antituberculosis activities. These activities were explained according to the presence or absence of the chlorine substituent in the aromatic ring of the amide joined to the thiosemicarbazide core. Thiosemicarbazide derivative I [R = R1 = phenyl] is a candidate for the development of novel antitubercular agents. Ongoing studies are focused on exploring the mechanism by which these compounds inhibit M. tuberculosis cell growth.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called One-Pot Synthesis of γ-Azidobutyronitriles and Their Intramolecular Cycloadditions, published in 2020-11-30, which mentions a compound: 1116-98-9, Name is tert-Butyl 2-cyanoacetate, Molecular C7H11NO2, Related Products of 1116-98-9.

Efficient gram-scale, one-pot approached to azidocyanobutyrates and their amidated or decarboxylated derivatives was developed, starting from com. available aldehydes and cyanoacetates. These techniques combine (1) Knoevenagel condensation, (2) Corey-Chaykovsky cyclopropanation and (3) nucleophilic ring opening of donor-acceptor cyclopropanes with the azide ion, as well as (4) Krapcho decarboxylation or (4′) amidation. The synthetic utility of the resulting γ-azidonitriles was demonstrated by their transformation into tetrazoles via intramol. (3+2)-cycloaddition A condition-dependent activation effect of the α-substituent was revealed in that case. Thermally activated azide-nitrile interaction did not differentiate the presence of an α-electron-withdrawing substituent in γ-azidonitriles, whereas the Lewis acid mediated (SnCl4or TiCl4) reaction proceeded much easier for azidocyanobutyrates. This allowed us to develop an efficient procedure for converting azidocyanobutyrates into the corresponding tetrazoles.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem