Tag: M.W=100-150

Glor, Ethan C.; Blau, Samuel M.; Yeon, Jeongho; Zeller, Matthias; Shiv Halasyamani, P.; Schrier, Joshua; Norquist, Alexander J. published the artcile< [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10]; new polar templated vanadium tellurite enantiomers>, Name: (S)-3-Amino-1-azabicyclo[2.2.2]octane, the main research area is polar vanadium tellurite enantiomer ammonioquinuclidine template hydrothermal preparation; crystal structure polar vanadium tellurite enantiomer ammonioquinuclidine template; stereoactive lone pair polar vanadium tellurite enantiomer ammonioquinuclidine template; dipole moment polar vanadium tellurite enantiomer ammonioquinuclidine template; charge distribution polar vanadium tellurite enantiomer ammonioquinuclidine template; second harmonic generation polar vanadium tellurite enantiomer ammonioquinuclidine template.

New polar vanadium tellurite enantiomers were synthesized under mild hydrothermal conditions through the use of sodium metavanadate, sodium tellurite and enantiomerically pure sources of either (R)-3-ammonioquinuclidine or (S)-3-ammonioquinuclidine. [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10] contain [V2Te2O10]n2n- layers constructed from [(VO2)2O(TeO4)2] monomers. Steric effects associated with the H-bonding network between the [V2Te2O10]n 2n- layers and [C7H16N2]2+ result in polar structures and crystallization in the space group P21. Electron localization functions were calculated to visualize the tellurite stereoactive lone pairs. Both iterative and noniterative Hirshfeld techniques were evaluated as means to determine at. partial charges, with iterative Hirshfeld charges more accurately representing charge distributions in the reported enantiomers. These charges were used to calculate both component and net dipole moments. [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10] exhibit dipole moments of 17.37 and 16.62 D, resp. [R-C7H16N2][V2Te2O10] and [S-C7H16N2][V2Te2O10] both display type 1 phase-matching capabilities and exhibit second harmonic generation activities of ∼50 × α-SiO2.

Journal of Solid State Chemistrypublished new progress about Dipole moment. 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Name: (S)-3-Amino-1-azabicyclo[2.2.2]octane.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Meng, Genyi; Guo, Taijie; Ma, Tiancheng; Zhang, Jiong; Shen, Yucheng; Sharpless, Karl Barry; Dong, Jiajia published the artcile< Modular click chemistry libraries for functional screens using a diazotizing reagent>, Recommanded Product: (S)-3-Amino-1-azabicyclo[2.2.2]octane, the main research area is alkyl aryl azide triazole chemoselective preparation; fluorosulfonyl azide generation chemoselective diazotization primary amine; combinatorial generation library alkyl aryl azide cycloaddition alkyne; functional screen click chem azide generated in situ.

Alkyl and aryl azides were prepared from the corresponding primary alkyl and aryl amines by reaction with fluorosulfonyl azide generated in situ from a fluorosulfonylimidazolium triflate and sodium azide, expanding access to azides and both to the 1,2,3-triazoles derived from them and to functional screens employing them. The method allowed the preparation of a library of >1000 azides from the corresponding amines; the azide library underwent copper-catalyzed azide-alkyne cycloaddition reactions to yield a library of >1000 1,2,3-triazoles.

Nature (London, United Kingdom)published new progress about Alkyl azides Role: CMB (Combinatorial Study), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Recommanded Product: (S)-3-Amino-1-azabicyclo[2.2.2]octane.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

De Paulis, T.; Hewlett, W. A.; Schmidt, D. E.; Mason, N. S.; Trivedi, B. L.; Ebert, M. H. published the artcile< Synthesis and 5-HT-3 receptor binding activity of 5-[125I]iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide and its 5-halogen-2-alkoxyl homologs>, Synthetic Route of 120570-05-0, the main research area is benzamide derivative serotonin receptor binding structure; azabicyclooctylbenzamide serotonin receptor binding structure; iodine labeling benzamide serotonin receptor binding; PET iodine labeled benzamide serotonin receptor; SPECT iodine labeled benzamide serotonin receptor.

(S)-5-Iodo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide (MIZAC) was prepared from 5-iodo-2,3-dimethoxybenzoyl chloride and (S)-3-aminoquinuclidine. [125I]iodide-stannylation of its corresponding 5-tri-n-butyltin derivative gave [125I]-MIZAC at 1800 Ci/mmol. Binding of [125I]-MIZAC in rat entorhinal cortex revealed a KD of 1.37 nM. A series of racemic 2-O-alkyl derivatives of MIZAC were prepared and 5-HT-3 receptor affinities were determined by inhibition of [125I]-MIZAC binding. Optimal affinity for the receptor was obtained with small, electron-withdrawing substituents in the aromatic 5-position and with bulky substituents in the 3-position. [125I]-MIZAC is a selective radioligand useful for in vitro identification of the 5-HT-3 receptor. QSAR data suggest that potential candidates for SPECT and PET studies might be found in sterically bulky haloalkoxyl 5-chloro homologs of MIZAC.

European Journal of Medicinal Chemistrypublished new progress about 5-HT3 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Synthetic Route of 120570-05-0.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Bodnar, Alice L.; Cortes-Burgos, Luz A.; Cook, Karen K.; Dinh, Dac M.; Groppi, Vincent E.; Hajos, Mihaly; Higdon, Nicole R.; Hoffmann, William E.; Hurst, Raymond S.; Myers, Jason K.; Rogers, Bruce N.; Wall, Theron M.; Wolfe, Mark L.; Wong, Erik published the artcile< Discovery and Structure-Activity Relationship of Quinuclidine Benzamides as Agonists of α7 Nicotinic Acetylcholine Receptors>, Electric Literature of 120570-05-0, the main research area is quinuclidine benzamide library preparation nicotinic receptor agonist.

A library of benzamides was tested for α7 nicotinic acetylcholine receptor (nAChR) agonist activity using a chimeric receptor in a functional, cell-based, high-throughput assay. From this library, quinuclidine benzamides were found to have α7 nAChR agonist activity. The SAR diverged from the activity of this compound class verses the 5-HT3 receptor, a structural homolog of the α7 nAChR. PNU-282987 (I), the most potent compound from this series, was also shown to open native α7 nAChRs in cultured rat neurons and to reverse an amphetamine-induced gating deficit in rats.

Journal of Medicinal Chemistrypublished new progress about 5-HT3 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Electric Literature of 120570-05-0.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Kuroita, Takanobu; Sakamori, Masamitsu; Kawakita, Takeshi published the artcile< Design and synthesis of 6-chloro-3,4-dihydro-4-methyl-2H-1,4-benzoxazine-8-carboxamide derivatives as potent serotonin-3 (5-HT3) receptor antagonists>, Related Products of 120570-05-0, the main research area is benzoxazinecarboxamide preparation serotonin receptor antagonist.

Several 3-substituted 5-chloro-2-methoxybenzamides I (R1 = NMe2, NH2, NMeCOMe) were synthesized and evaluated for serotonin-3 (5-HT3) receptor binding affinity. The 5-HT3 receptor antagonistic activity of zacopride, a representative 5-HT3 receptor antagonist, was unchanged by the replacement of the 4-amino substituent on the aromatic moiety by a 3-dimethylamino substituent. This finding promoted a structural modification of azasetron, another 5-HT3 receptor antagonist. Consequently, a new series of 3,4-dihydro-2H-1,4-benzoxazine-8-carboxamides II (R2 = H, Me, Et, Pr, CH2Ph, COPh, etc., R3 = Cl; R2 = Me, R3 = F, Br, Me, NO2, NH2, H) was obtained and these compounds were found to be more potent than 3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxamides. In particular, (S)-N-(1-azabicyclo[2.2.2]oct-3-yl)-6-chloro-3,4-dihydro-4-methyl-2H-1,4-benzoxazine-8-carboxamide showed a high affinity for 5-HT3 receptors (K = 0.051 nM) and especially potent antagonistic activity against the von Benzold-Jarisch reflex (ED50 = 0.089 μg/kg i.v.) in rats.

Chemical & Pharmaceutical Bulletinpublished new progress about 5-HT3 antagonists. 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Related Products of 120570-05-0.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Yang, Zhicai; Fairfax, David J.; Maeng, Jun-Ho; Masih, Liaqat; Usyatinsky, Alexander; Hassler, Carla; Isaacson, Soshanna; Fitzpatrick, Kevin; De Orazio, Russell J.; Chen, Jianqing; Harding, James P.; Isherwood, Matthew; Dobritsa, Svetlana; Christensen, Kevin L.; Wierschke, Jonathan D.; Bliss, Brian I.; Peterson, Lisa H.; Beer, Cathy M.; Cioffi, Christopher; Lynch, Michael; Rennells, W. Martin; Richards, Justin J.; Rust, Timothy; Khmelnitsky, Yuri L.; Cohen, Marlene L.; Manning, David D. published the artcile< Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists>, Product Details of C7H14N2, the main research area is irritable bowel syndrome IBS serotonin receptor antagonist 5HT3 antagonist; benzoxaole derivative SAR preparation.

A new class of 2-substituted benzoxazole carboxamides are presented as potent functional 5-HT3 receptor antagonists. The chem. series possesses nanomolar in vitro activity against human 5-HT3A receptors. A chem. optimization program was conducted and identified 2-aminobenzoxazoles as orally active 5-HT3 receptor antagonists with good metabolic stability. These novel analogs possess drug-like characteristics and have potential utility for the treatment of diseases attributable to improper 5-HT3 receptor function, especially diarrhea predominant irritable bowel syndrome (IBS-D).

Bioorganic & Medicinal Chemistry Letterspublished new progress about 5-HT receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Product Details of C7H14N2.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Bozdag, Murat; Carta, Fabrizio; Vullo, Daniela; Isik, Semra; Al Othman, Zeid; Osman, Sameh M.; Scozzafava, Andrea; Supuran, Claudiu T. published the artcile< Dithiocarbamates with potent inhibitory activity against the Saccharomyces cerevisiae β-carbonic anhydrase>, Recommanded Product: (S)-3-Amino-1-azabicyclo[2.2.2]octane, the main research area is dithiocarbamate inhibitor selectivity Saccharomyces beta carbonic anhydrase; Saccharomyces cerevisiae; carbonic anhydrase; dithiocarbamate; inhibitor; β-Class enzyme.

Dithiocarbamates (DTCs) prepared from primary or secondary amines, which incorporated amino/hydroxyl-alkyl, mono-/bicyclic aliphatic/heterocyclic rings based on the quinuclidine, piperidine, hydroxy-/carboxy-/amino-substituted piperidine, morpholine and piperazine scaffolds, were investigated for the inhibition of α- and β-carbonic anhydrases (CAs, EC 4.2.1.1) of pharmacol. relevance, such as the human (h) isoform hCA I and II, as well as the Saccharomyces cerevisiae β-CA, scCA. The yeast and its β-CA were shown earlier to be useful models of pathogenic fungal infections. The DTCs investigated here were medium potency hCA I inhibitors (KIs of 66.5-910 nM), were more effective as hCA II inhibitors (KIs of 8.9-107 nM) and some of them showed excellent, low nanomolar activity against the yeast enzyme, with inhibition constants ranging between 6.4 and 259 nM. The detailed structure activity relationship for inhibition of the yeast and human enzymes is discussed. Several of the investigated DTCs showed excellent selectivity ratios for inhibiting the yeast over the human cytosolic CA isoforms.

Journal of Enzyme Inhibition and Medicinal Chemistrypublished new progress about Carbonic anhydrase inhibitors. 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, Recommanded Product: (S)-3-Amino-1-azabicyclo[2.2.2]octane.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider

Dash, Jyotirmayee; Nath Das, Rabindra; Hegde, Nagaratna; Pantos, G. Dan; Shirude, Pravin S.; Balasubramanian, Shankar published the artcile< Synthesis of Bis-indole Carboxamides as G-Quadruplex Stabilizing and Inducing Ligands>, COA of Formula: C7H14N2, the main research area is bisindolecarboxamide preparation G quadruplex stabilizing inducing ligand structure activity.

The design and synthesis of a series of bis-indole carboxamides with varying amine containing side chains as G-quadruplex DNA stabilizing small mols. are reported. For example, reacting amines R4NH2 [R4 = Me2N(CH2)3, pyrrolidino, 1-methyl-2-pyrrolidinyl, etc.] with bisindole diacid I (R = OH), which was prepared in 3 steps from 1,3-diethynylbenzene and Me 4-amino-3-iodobenzoate, gave carboxamides I (R = NHR4) in good yield. Their interactions with quadruplexes have been evaluated by means of Foerster resonance energy transfer (FRET) melting anal., UV/Vis spectroscopy, CD spectroscopy and mol. modeling studies. FRET anal. indicates that these ligands exhibit significant selectivity for quadruplex over duplex DNA, and the position of the carboxamide side chains is of paramount importance in G-quadruplex stabilization. UV/Vis titration studies reveal that bis-indole ligands bind tightly to quadruplexes and show a three- to five-fold preference for c-kit2 over h-telo quadruplex DNA. CD studies revealed that bis-indole carboxamide with a central pyridine ring induces the formation of a single, antiparallel conformation of the h-telo quadruplex in the presence and absence of added salt. The chirality of h-telo quadruplex was transferred to the achiral ligand (induced CD) and the formation of a preferred atropisomer was observed

Chemistry – A European Journalpublished new progress about DNA Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (binding). 120570-05-0 belongs to class quinuclidine, and the molecular formula is C7H14N2, COA of Formula: C7H14N2.

Referemce:
Quinuclidine – Wikipedia,
Quinuclidine | C7H13N | ChemSpider