Tag: M.W=200-250

Stull, Savannah M.; Mei, Liangyong; Gianetti, Thomas L. published the artcile< Red-Light-Induced N,N'-Dipropyl-1,13-dimethoxyquinacridinium-Catalyzed [3+2] Cycloaddition of Cyclopropylamines with Alkenes or Alkynes>, Formula: C7H4BrF3, the main research area is cyclopropylamine alkene dipropyl dimethoxyquinacridinium catalyst photochem diastereoselective cycloaddition; cyclopentanamine preparation; alkyne cyclopropylamine dipropyl dimethoxyquinacridinium photochem diastereoselective cycloaddition; cyclopentenamine preparation.

A red-light-mediated [3+2] annulation of cyclopropylamines with akenes or alkynes in the presence of N, N’-dipropyl-1,13-dimethoxyquinacridinium was reported. An array of cyclopentane or cyclopentene derivatives with diverse functional groups were obtained in moderate to excellent yields under mild conditions.

Synlett published new progress about [3+2] Cycloaddition reaction catalysts (stereoselective, photochem.). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Formula: C7H4BrF3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rabal, Obdulia; Sanchez-Arias, Juan A.; Cuadrado-Tejedor, Mar; de Miguel, Irene; Perez-Gonzalez, Marta; Garcia-Barroso, Carolina; Ugarte, Ana; Estella-Hermoso de Mendoza, Ander; Saez, Elena; Espelosin, Maria; Ursua, Susana; Tan, Haizhong; Wu, Wei; Xu, Musheng; Pineda-Lucena, Antonio; Garcia-Osta, Ana; Oyarzabal, Julen published the artcile< Multitarget Approach for the Treatment of Alzheimer's Disease: Inhibition of Phosphodiesterase 9 (PDE9) and Histone Deacetylases (HDACs) Covering Diverse Selectivity Profiles>, Name: Ethyl 5-bromothiophene-2-carboxylate, the main research area is Alzheimer’s disease HDAC inhibition PDE9 inhibition HDAC6 dual inhibitors; Alzheimer’s disease; HDAC6; dual inhibitors; histone deacetylase inhibition; phosphodiesterase 9 inhibition.

Here, we present a series of dual-target phosphodiesterase 9 (PDE9) and histone deacetylase (HDAC) inhibitors devised as pharmacol. tool compounds for assessing the implications of these two targets in Alzheimer’s disease (AD). These novel inhibitors were designed taking into account the key pharmacophoric features of known selective PDE9 inhibitors as well as privileged chem. structures, bearing zinc binding groups (hydroxamic acids and ortho-amino anilides) that hit HDAC targets. These substituents were selected according to rational criteria and previous knowledge from our group to explore diverse HDAC selectivity profiles (pan-HDAC, HDAC6 selective, and class I selective) that were confirmed in biochem. screens. Their functional response in inducing acetylation of histone and tubulin and phosphorylation of cAMP response element binding (CREB) was measured as a requisite for further progression into complete in vitro absorption, distribution, metabolism and excretion (ADME) and in vivo brain penetration profiling. Compound 31b, a selective HDAC6 inhibitor with acceptable brain permeability, was chosen for assessing in vivo efficacy of these first-in-class inhibitors, as well as studying their mode of action (MoA).

ACS Chemical Neuroscience published new progress about Alzheimer disease. 5751-83-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H7BrO2S, Name: Ethyl 5-bromothiophene-2-carboxylate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhan, Yizhou; Liu, Tao; Ren, Jun; Wang, Zhongwen published the artcile< Lewis Acid-Catalyzed Intramolecular [3+2] Cross-Cycloaddition of Aziridine 2,2-Diesters with Conjugated Dienes for Construction of Aza-[n.2.1] Skeletons>, Quality Control of 89003-95-2, the main research area is Lewis acid intramol cross cycloaddition aziridine diester conjugate diene; aza skeleton preparation; aziridine; bridged ring; cycloaddition; medium-sized ring; regioselectivity.

A novel Lewis acid-catalyzed [3+2] intramol. cross-cycloaddition (IMCC) between aziridine 2,2-diesters and conjugated dienes has been developed. This is the first regiospecific IMCC of intramol. 1,3-dipolar cycloadditions of azomethine ylides with carbon=carbon double bonds, and supplies a general and efficient strategy for construction of structurally complex and diverse aza-[n.2.1] skeletons, e.g. I. The [3+2]IMCC could be carried out under mild conditions and in gram scale. More importantly, 3-alkyl-substituted aziridines were also successful. The excellent structural diversity, the facile operation and the versatile post-modifications will support the applications of the [3+2]IMCC in natural products synthesis and drugs discovery.

Chemistry – A European Journal published new progress about Aziridines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 89003-95-2 belongs to class bromides-buliding-blocks, and the molecular formula is C8H4BrNO, Quality Control of 89003-95-2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Wei; Cha, Xue-Xiang; Reiner, John; Gao, Yuan; Qiao, Hai-Ling; Shen, Jia-Xiang; Chang, Jun-Biao published the artcile< Synthesis and biological activity of n-butylphthalide derivatives>, Computed Properties of 82-73-5, the main research area is butylphthalide derivative preparation vasorelaxant.

A series of n-butylphthalide derivatives were designed and synthesized. The in vitro activities of these compounds were evaluated by a resting tension of isolated rat thoracic aorta ring assay. Compounds I (R = F, Br) were found to be more active than n-butylphthalide.

European Journal of Medicinal Chemistry published new progress about Cardiovascular disease. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Computed Properties of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Filian, Hossein; Ghorbani-Choghamarani, Arash; Tahanpesar, Elham published the artcile< Ni-guanidine@MCM-41 NPs: a new catalyst for the synthesis of 4,4'-(arylmethylene)-bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols) and symmetric di-aryl sulfides>, HPLC of Formula: 401-78-5, the main research area is diaryl sulfide nickel guanidine nanoparticle catalyst.

In this work, the surface of mesoporous MCM-41 was modified with guanidine, and then, Nickel particles have become immobilized on its surface (Ni-guanidine@MCM-41NPs). This heterogeneous catalyst has been identified by various techniques including: low-angle X-ray diffraction, SEM, energy-dispersive X-ray spectroscopy, inductively coupled plasma, thermal gravimetric anal. and N2 adsorption-desorption measurement isotherms, and its catalytic application was studied in the synthesis of 4,4′-(arylmethylene)-bis-(3-methyl-1-phenyl-1H-pyrazol-5-ol) derivatives and sym. di-aryl sulfides. The prepared organometallic complex could be isolated, post-reaction, by simple filtration for several consecutive cycles without a notable change in its catalytic activity.

Journal of the Iranian Chemical Society published new progress about Adsorption. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, HPLC of Formula: 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jabeen, Amara; de March, Claire A.; Matsunami, Hiroaki; Ranganathan, Shoba published the artcile< Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors>, Quality Control of 14062-30-7, the main research area is ectopic olfactory receptor agonist machine learning based model; G protein-coupled receptors; luciferase assay; machine learning; molecular descriptors; olfactory receptor; random forest; virtual ligand screening.

Olfactory receptors (ORs) constitute the largest superfamily of G protein-coupled receptors (GPCRs). ORs are involved in sensing odorants as well as in other ectopic roles in non-nasal tissues. Matching of an enormous number of the olfactory stimulation repertoire to its counterpart OR through machine learning (ML) will enable understanding of olfactory system, receptor characterization, and exploitation of their therapeutic potential. In the current study, we have selected two broadly tuned ectopic human OR proteins, OR1A1 and OR2W1, for expanding their known chem. space by using mol. descriptors. We present a scheme for selecting the optimal features required to train an ML-based model, based on which we selected the random forest (RF) as the best performer. High activity agonist prediction involved screening five databases comprising ∼23 M compounds, using the trained RF classifier. To evaluate the effectiveness of the machine learning based virtual screening and check receptor binding site compatibility, we used docking of the top target ligands to carefully develop receptor model structures. Finally, exptl. validation of selected compounds with significant docking scores through in vitro assays revealed two high activity novel agonists for OR1A1 and one for OR2W1.

International Journal of Molecular Sciences published new progress about Medicine (ectopic olfactory receptor agonist). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Quality Control of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Giles, Robin G. F.; Sargent, Melvyn V.; Sianipar, Hercules published the artcile< Regioselectivity in the reactions of methoxydehydrobenzenes with furans. Part 1. Reactions of 3-methoxydehydrobenzene and 3-(methoxycarbonyl)dehydrobenzene with 2-substituted furans>, Product Details of C7H7BrO2, the main research area is cycloaddition furan methoxydehydrobenzene regiochem; dehydrobenzene methoxy cycloaddition furan regiochem; ring cleavage dihydroepoxynaphthalene; naphthol alkoxy.

The isomer ratios for the cycloadducts obtained for the reaction of 3-methoxydehydrobenzene, generated from 2-amino-6-methoxybenzoic acid by aprotic diazotization, or from 2,3-BrMeOC6H3OSO2C6H4Me-4 by treatment with BuLi, and for the reaction of 3-(methoxycarbonyl)dehydrobenzene, generated from 2,6-(H2N)(MeO2C)C6H3CO2H by aprotic diazotization, with seven 2-substituted furans were obtained. These results are discussed in terms of an asynchronous, concerted, biradicaloid reaction pathway.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Cycloaddition reaction. 135999-16-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H7BrO2, Product Details of C7H7BrO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Qian, Yimin; Marugan, Juan Jose; Fossum, Renae D.; Vogt, Andreas; Sebti, Said M.; Hamilton, Andrew D. published the artcile< Probing the hydrophobic pocket of farnesyltransferase: aromatic substitution of CAAX peptidomimetics leads to highly potent inhibitors>, Safety of 2-Bromo-4-nitrobenzoic acid, the main research area is methionine CAAX peptidomimetic preparation potent inhibitor farnesyltransferase; structure activity relationship farnesyltransferase inhibitor methionine CAAX peptidomimetic.

The authors report here the design, synthesis and biol. characterization of a series of CAAX (C = cysteine, AA = aromatic amino acid, X = methionine) peptidomimetics as farnesyltransferase inhibitors. For example, peptidomimetics I (R = Ph, 2-thienyl, 1-naphthyl, 2-pyridyl, 3-pyridyl, 4-pyridyl) are extremely potent towards farnesyltransferase with IC50 values ranging from subnanomolar to low nanomolar concentrations They have a high selectivity for farnesyltransferase over the closely related geranylgeranyltransferase-I. Structure-activity relationship studies demonstrated that a properly positioned hydrophobic group significantly enhanced inhibition potency, reflecting an improved complementarity to the large hydrophobic pocket in the CAAX binding site.

Bioorganic & Medicinal Chemistry published new progress about Peptidomimetics. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Safety of 2-Bromo-4-nitrobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Oh, Soo-Jin; Hwang, Seok Jin; Jung, Jonghoon; Yu, Kuai; Kim, Jeongyeon; Choi, Jung Yoon; Hartzell, H. Criss; Roh, Eun Joo; Lee, C. Justin published the artcile< MONNA, a potent and selective blocker for transmembrane protein with unknown function 16/anoctamin-1>, Quality Control of 16426-64-5, the main research area is oocyte structure activity relationship plasma membrane; MONNA ANO1 protein blocker anthranilic acid derivative screening Xenopus.

Transmembrane protein with unknown function 16/anoctamin-1 (ANO1) is a protein widely expressed in mammalian tissues, and it has the properties of the classic calcium-activated chloride channel (CaCC). This protein has been implicated in numerous major physiol. functions. However, the lack of effective and selective blockers has hindered a detailed study of the physiol. functions of this channel. In this study, we have developed a potent and selective blocker for endogenous ANO1 in Xenopus laevis oocytes (xANO1) using a drug screening method we previously established. We have synthesized a number of anthranilic acid derivatives and have determined the correlation between biol. activity and the nature and position of substituents in these derived compounds A structure-activity relationship revealed novel chem. classes of xANO1 blockers. The derivatives contain a -NO2 group on position 5 of a naphthyl group-substituted anthranilic acid, and they fully blocked xANO1 chloride currents with an IC50 < 10 μM. The most potent blocker, N-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid (MONNA), had an IC50 of 0.08 μM for xANO1. Selectivity tests revealed that other chloride channels such as bestrophin-1, chloride channel protein 2, and cystic fibrosis transmembrane conductance regulator were not appreciably blocked by 10∼30 μM MONNA. The potent and selective blockers for ANO1 identified here should permit pharmacol. dissection of ANO1/CaCC function and serve as potential candidates for drug therapy of related diseases such as hypertension, cystic fibrosis, bronchitis, asthma, and hyperalgesia. Molecular Pharmacology published new progress about Anoctamins, Ano1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Quality Control of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Bryan; Samp, Lacey; Sagal, John; Hayward, Cheryl M.; Yang, Christine; Zhang, Zhijun published the artcile< Synthesis of Quinazolin-4(3H)-ones via Amidine N-Arylation>, Recommanded Product: Methyl 2-bromo-5-fluorobenzoate, the main research area is trifluoromethyliodonicotinic acid amidine palladium catalyst arylation; pyridopyrimidinone preparation; amindine halobenzoate palladium catalyst arylation; quinazolinone preparation.

Pyrido[4,3-d]pyrimidin-4(3H)-one was prepared by reacting 2-trifluoromethyl-4-iodo-nicotinic acid with amidine I catalyzed by Pd2(dba)3 and Xantphos, followed by cyclization effected with HBTU and subsequent demethylation using PhBCl2. The amidine arylation method was found applicable for the syntheses of quinazolin-4(3H)-ones. Thus, reaction of 2-bromo or 2-iodo benzoate esters with amidines afforded substituted quinazolin-4(3H)-ones, e.g. II, in 44-89% yields.

Journal of Organic Chemistry published new progress about Amidines Role: RCT (Reactant), RACT (Reactant or Reagent). 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, Recommanded Product: Methyl 2-bromo-5-fluorobenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary