Tag: 200-300

Biphenyl-indanones: Allosteric potentiators of the metabotropic glutamate subtype 2 receptor was written by Bonnefous, Celine;Vernier, Jean-Michel;Hutchinson, John H.;Gardner, Michael F.;Cramer, Merryl;James, Joyce K.;Rowe, Blake A.;Daggett, Lorrie P.;Schaffhauser, Herve;Kamenecka, Theodore M.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2005.Reference of 82702-31-6 This article mentions the following:

A series of biphenyl-carboxylic acid indanones as allosteric potentiators of the metabotropic glutamate receptor 2 was identified and synthesized. Structure-activity relationship studies directed toward improving the potency and the brain to plasma ratio of the initial lead led to the discovery of two compounds (EC₅₀ = 111 and 5 nM, resp.). In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6Reference of 82702-31-6).

Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Reference of 82702-31-6

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

5-Phenyl-1,3,4-oxadiazol-2(3H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit was written by Mahy, William;Willis, Nicky J.;Zhao, Yuguang;Woodward, Hannah L.;Svensson, Fredrik;Sipthorp, James;Vecchia, Luca;Ruza, Reinis R.;Hillier, James;Kjaer, Svend;Frew, Sarah;Monaghan, Amy;Bictash, Magda;Salinas, Patricia C.;Whiting, Paul;Vincent, Jean-Paul;Jones, E. Yvonne;Fish, Paul V.. And the article was included in Journal of Medicinal Chemistry in 2020.COA of Formula: C9H6BrF3O2 This article mentions the following:

Carboxylesterase Notum is a neg. regulator of the Wnt signaling pathway. There is an emerging understanding of the role Notum plays in disease, supporting the need to discover new small-mol. inhibitors. A crystallog. X-ray fragment screen was performed, which identified fragment hit 1,2,3-triazole (I) as an attractive starting point for a structure-based drug design hit-to-lead program. Optimization of I identified oxadiazol-2-one II as a preferred example with properties consistent with drug-like chem. space. Screening of II in a cell-based TCF/LEF reporter gene assay restored the activation of Wnt signaling in the presence of Notum. Mouse pharmacokinetic studies with oral administration of II demonstrated good plasma exposure and partial blood-brain barrier penetration. Significant progress was made in developing fragment hit I into lead II (>600-fold increase in activity), making it suitable as a new chem. tool for exploring the role of Notum-mediated regulation of Wnt signaling. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-3-(trifluoromethyl)benzoate (cas: 107317-58-8COA of Formula: C9H6BrF3O2).

Methyl 4-bromo-3-(trifluoromethyl)benzoate (cas: 107317-58-8) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.COA of Formula: C9H6BrF3O2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Strategy for the Synthesis of Sulfonamides on DNA was written by Liu, Wei;Deng, Wei;Sun, Saisai;Yu, Chunyan;Su, Xubo;Wu, Aliang;Yuan, Youlang;Ma, Zhonglin;Li, Ke;Yang, Hongfang;Peng, Xuanjia;Dietrich, Justin. And the article was included in Organic Letters in 2019.Category: bromides-buliding-blocks This article mentions the following:

An efficient method is reported to synthesize sulfonamides on DNA from sulfinic acids or sodium sulfinates and amines in the presence of iodine under mild conditions. This method demonstrates a major expansion of scope of sulfonamide formation on DNA through the utilization of a novel sodium carbonate-sodium sulfinate bifunctional reagent class. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2Category: bromides-buliding-blocks).

Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Stable and easily available sulfide surrogates allow a stereoselective activation of alcohols was written by Merad, Jeremy;Matyasovsky, Jan;Stopka, Tobias;Brutiu, Bogdan R.;Pinto, Alexandre;Drescher, Martina;Maulide, Nuno. And the article was included in Chemical Science in 2021.Product Details of 14425-64-0 This article mentions the following:

Isothiouronium salts N(CH₃)₂C(=N⁺(CH₃)₂)SR.X^– (R = prop-2-en-1-yl, 2-(4-methoxyphenyl)ethyl, 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl, etc.; X = Br, I, SbF₆, BF₄, PF₆) are easily accessible and stable compounds Herein, their use as versatile deoxasulfenylating agents enabling a stereoselective, thiol-free protocol for synthesis of thioethers RSR¹ (R¹ = prop-2-yn-1-yl, 1-phenylethyl, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl, etc.) from alcs. R¹OH was reported. The method is simple and scalable and tolerates a broad range of functional groups otherwise incompatible with other methods. Late-stage modification of several pharmaceuticals provides access to multiple analogs of biol. relevant mols. Performed experiments give insight into the reaction mechanism. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Product Details of 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Product Details of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Syntheses and evaluation of anti-inflammatory, analgesic and ulcerogenic activities of 1,3,4-oxadiazole and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives was written by Chawla, Gita;Kumar, Umesh;Bawa, Sandhya;Kumar, Jagdish. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2012.Safety of Methyl 3-bromo-4-fluorobenzoate This article mentions the following:

Several 2,5-disubstituted-1,3,4-oxadiazoles and 3,6-disubstituted-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles were synthesized and characterized by elemental analyses and spectral data. These compounds were screened for their anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation activities. Compound I showed excellent anti-inflammatory and remarkable analgesic activity with reduced ulcerogenic and lipid peroxidation activity when compared with ibuprofen. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6Safety of Methyl 3-bromo-4-fluorobenzoate).

Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Safety of Methyl 3-bromo-4-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

C-H Bond Functionalization via Hydride Transfer: Formation of 浼?Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds was written by Vadola, Paul A.;Carrera, Ignacio;Sames, Dalibor. And the article was included in Journal of Organic Chemistry in 2012.Safety of Methyl 2-bromo-4-fluorobenzoate This article mentions the following:

We here report a study of the intramol. amination of sp³ C-H bonds via the hydride transfer cyclization of N-tosylimines (HT-amination). In this transformation, 5-aryl aldehydes are subjected to N-toluenesulfonamide in the presence of BF₃璺疧Et₂ to effect imine formation and HT-cyclization, leading to 2-arylpiperidines and 3-aryl-1,2,3,4-tetrahydroisoquinolines in a one-pot procedure. We examined the reactivity of a range of aldehyde substrates as a function of their conformational flexibility. Substrates of higher conformational rigidity were more reactive, giving higher yields of the desired products. However, a single substituent on the alkyl chain linking the N-tosylimine and the benzylic sp³ C-H bonds was sufficient for HT-cyclization to occur. In addition, an examination of various arenes revealed that the electronic character of the hydridic C-H bonds dramatically affects the efficiency of the reaction. We also found that this transformation is highly stereoselective; 2-substituted aldehydes yield cis-2,5-disubstituted piperidines, while 3-substituted aldehydes afford trans-2,4-disubstituted piperidines. The stereoselectivity is a consequence of thermodn. control. The pseudoallylic strain between the arene and tosyl group on the piperidine ring is proposed to rationalize the greater stability of the isomer with the aryl ring in the axial position. This preferential placement of the arene is proposed to affect the observed stereoselectivity. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Safety of Methyl 2-bromo-4-fluorobenzoate).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Safety of Methyl 2-bromo-4-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery and characterization of AZD9272 and AZD6538-Two novel mGluR5 negative allosteric modulators selected for clinical development was written by Raboisson, Patrick;Breitholtz-Emanuelsson, Anna;Dahlloef, Henrik;Edwards, Louise;Heaton, William L.;Isaac, Methvin;Jarvie, Keith;Kers, Annika;Minidis, Alexander B. E.;Nordmark, Anna;Sheehan, Susan M.;Slassi, Abdelmalik;Stroem, Peter;Terelius, Ylva;Wensbo, David;Wilson, Julie M.;Xin, Tao;McLeod, Donald A.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2012.Recommanded Product: Methyl 3-bromo-5-fluorobenzoate This article mentions the following:

AZD9272 and AZD6538 are two novel mGluR5 neg. allosteric modulators selected for further clin. development. An initial high-throughput screening revealed leads with promising profiles, which were further optimized by minor, yet indispensable, structural modifications to bring forth these drug candidates. Advantageously, both compounds may be synthesized in as little as one step. Both are highly potent and selective for the human as well as the rat mGluR5 where they interact at the same binding site than MPEP. They are orally available, allow for long interval administration due to a high metabolic stability and long half-lives in rats and permeate the blood brain barrier to a high extent. AZD9272 has progressed into phase I clin. studies. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8Recommanded Product: Methyl 3-bromo-5-fluorobenzoate).

Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon鑱砨romine bond is electrophilic in nature. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Recommanded Product: Methyl 3-bromo-5-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Bulky Biaryl Phosphine Ligand Allows for Palladium-Catalyzed Amidation of Five-Membered Heterocycles as Electrophiles was written by Su, Mingjuan;Buchwald, Stephen L.. And the article was included in Angewandte Chemie, International Edition in 2012.Computed Properties of C7H8BrNO2 This article mentions the following:

The first palladium-catalyzed amidation of five-membered heterocyclic bromides with multiple heteroatoms was achieved using the Pd/I catalyst system. N-Arylated imidazoles, pyrazoles, thiazoles, pyrroles, and thiophenes were synthesized in moderate to excellent yield. Exptl. results and DFT calculations point to the need for an electron-rich and sterically demanding biaryl phosphine ligand to promote these difficult reactions. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3Computed Properties of C7H8BrNO2).

Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Computed Properties of C7H8BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

One-pot cascade synthesis of azabicycles via the nitro-Mannich reaction and N-alkylation was written by Disadee, Wannaporn;Ruchirawat, Somsak. And the article was included in Organic & Biomolecular Chemistry in 2018.Electric Literature of C13H14BrNO2 This article mentions the following:

A one-pot, metal-free process for the synthesis of azabicycles is developed. The key transformations involved a cascade of double intramol. cyclizations via the nitro-Mannich reaction and N-alkylation, providing various ring systems of azabicycles in yields up to 81% and an isomeric ratio of 62 : 1. This approach offers considerable advantages in terms of the handling of small mols., the flexibility to introduce a functionalized side chain, and gives direct access to various azabicycles. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Electric Literature of C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon閳ユ彽romine bond is electrophilic, i.e. alkyl bromides are alkylating agents. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Electric Literature of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

6-Methoxy-1-tetralone Derivatives Bearing an N-Arylpyridinium Moiety as Cholinesterase Inhibitors: Design, Synthesis, Biological Evaluation, and Molecular Docking Study was written by Chehardoli, Gholamabbas;Gholamhoseini, Pooriya;Ebadi, Ahmad;Ziaei, Maral;Akbarzadeh, Tahmineh;Saeedi, Mina;Mahdavi, Mohammad;Khoshneviszadeh, Mehdi;Najafi, Zahra. And the article was included in ChemistrySelect in 2022.Product Details of 954-81-4 This article mentions the following:

A novel series of 6-methoxy-1-tetralone derivatives bearing N-aryl pyridinium moiety I (Ar = C₆H₅, 2-FC₆H₄, 3-ClC₆H₄, etc.; n = 1, 2, 3, 4, 5; X = Cl, Br) were designed, synthesized, and evaluated as acetyl and butyrylcholinesterase inhibitors. The designed derivatives inhibited acetylcholinesterase (AChE) with IC₅₀ values of 0.025-23.743娓璏 and butyrylcholinesterase (BChE) with IC₅₀ values of 0.716-20.588娓璏. The synthesized compounds were divided into two series. Derivatives containing N-benzyl moieties generally were more potent anti-AChE and anti-BChE agents than compounds with N-alkylphthalimide groups. Among them, the compound I (Ar = C₆H₅; n = 1; X = Br) and compound I (Ar = 3-ClC₆H₄; n = 1; X = Br) exhibited significant inhibitory activity against AChE and BChE with IC₅₀ values of 0.025 and 0.716娓璏 in comparison to donepezil as a reference drug (0.029 and 0.948娓璏, resp.). The results of kinetic and mol. modeling studies demonstrated that the synthesized compounds I (Ar = C₆H₅; n = 1; X = Br) and I (Ar = 3-ClC₆H₄; n = 1; X = Br) derivatives can act as mixed and dual binding inhibitors, and bind to both CAS and PAS of AChE and BChE enzymes. Among the assessed compounds, the compound I (Ar = C₆H₅; n = 1; X = Br) indicated significant neuroprotection against H₂O₂-induced cell death in PC12 cells. So, these findings indicate the therapeutic potential of 6-methoxy-1-tetralone derivatives bearing N-aryl pyridinium moiety derivatives as anti-AD agents. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Product Details of 954-81-4).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Product Details of 954-81-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary