Tag: M.W=200-250

Frei, Reto; Blackwell, Helen E. published the artcile< Small Molecule Macroarray Construction via Palladium-Mediated Carbon-Carbon Bond-Forming Reactions: Highly Efficient Synthesis and Screening of Stilbene Arrays>, Safety of 1,4-Difluoro-2-iodobenzene, the main research area is amine cellulose supported preparation coupling benzoic acid vinyl; benzamide vinyl cellulose supported preparation Heck iodoarene palladium mediated; stilbenecarboxamide macroarray preparation Vibrio fischeri quorum sensing receptor inhibition.

The application of palladium-mediated Heck reactions to the efficient construction of a 100-member stilbene macroarray on planar cellulose support was discussed. The stilbene library was evaluated in a bacterial quorum sensing (QS) assay and indicated several new inhibitors of a QS receptor in the Gram-neg. bacterium Vibrio fischeri.

Chemistry – A European Journal published new progress about Aliivibrio fischeri. 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, Safety of 1,4-Difluoro-2-iodobenzene.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Zhao, Ruyan; Sabatini, Randy P.; Zhu, Tong; Wang, Sasa; Morteza Najjarian, Amin; Johnston, Andrew; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S. published the artcile< Rigid Conjugated Diamine Templates for Stable Dion-Jacobson-Type Two-Dimensional Perovskites>, HPLC of Formula: 887266-99-1, the main research area is Dion Jacobson 2D perovskite diamine organic ligand thermal stability.

Hybrid organic-inorganic perovskites (HOIPs) have garnered widespread interest, yet stability remains a critical issue that limits their further application. Compared to their three-dimensional (3D) counterparts, two-dimensional (2D)-HOIPs exhibit improved stability. 2D-HOIPs are also appealing because their structural and optical properties can be tuned according to the choice of organic ligand, with monovalent or divalent ligands forming Ruddlesden-Popper (RP) or Dion-Jacobson (DJ)-type 2D perovskites, resp. Unlike RP-type 2D perovskites, DJ-type 2D perovskites do not contain a van der Waals gap between the 2D layers, leading to improved stability. However, bifunctional organic ligands currently used to develop DJ-type 2D perovskites are limited to com. available aliphatic and single-ring aromatic ammonium cations. Large conjugated organic ligands are in demand for their semiconducting properties and their potential to improve materials stability further. In this manuscript, we report the design and synthesis of a new set of larger conjugated diamine ligands and their incorporation into DJ-type 2D perovskites. Compared with analogous RP-type 2D perovskites, DJ 2D perovskites reported here show blue-shifted, narrower emissions and significantly improved stability. By changing the structure of rings (benzene vs thiophene) and substituents, we develop structure-property relationships, finding that fluorine substitution enhances crystallinity. Single-crystal structure anal. and d. functional theory calculations indicate that these changes are due to strong electrostatic interactions between the organic templates and inorganic layers as well as the rigid backbone and strong π-π interaction between the organic ligands themselves. These results illustrate that targeted engineering of the diamine ligands can enhance the stability of DJ-type 2D perovskites.

Journal of the American Chemical Society published new progress about Acoustic phonon. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, HPLC of Formula: 887266-99-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Battisti, Umberto M.; Garcia-Vazquez, Rocio; Svatunek, Dennis; Herrmann, Barbara; Loffler, Andreas; Mikula, Hannes; Herth, Matthias Manfred published the artcile< Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines>, COA of Formula: C7H3FIN, the main research area is bioorthogonal reactivity substituted aryltetrazine inverse electron demand Diels Alder.

Tetrazines (Tz) have been applied as bioorthogonal agents for various biomedical applications, including pretargeted imaging approaches. In radioimmunoimaging, pretargeting increases the target-to-background ratio while simultaneously reducing the radiation burden. We have recently reported a strategy to directly 18F-label highly reactive tetrazines based on a 3-(3-fluorophenyl)-Tz core structure. Herein, we report a kinetic study on this versatile scaffold. A library of 40 different tetrazines was prepared, fully characterized, and investigated with an emphasis on second-order rate constants for the reaction with trans-cyclooctene (TCO). Our results reveal the effects of various substitution patterns and moreover demonstrate the importance of measuring reactivities in the solvent of interest, as click rates in different solvents do not necessarily correlate well. In particular, we report that tetrazines modified in the 2-position of the Ph substituent show high intrinsic reactivity toward TCO, which is diminished in aqueous systems by unfavorable solvent effects. The obtained results enable the prediction of the bioorthogonal reactivity and thereby facilitate the development of the next generation of substituted aryltetrazines for in vivo applications.

Bioconjugate Chemistry published new progress about Aromatic nitriles Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), PROC (Process), RACT (Reactant or Reagent), PREP (Preparation). 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, COA of Formula: C7H3FIN.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Burt, Michael; Amini, Kasra; Lee, Jason W. L.; Christiansen, Lars; Johansen, Rasmus R.; Kobayashi, Yuki; Pickering, James D.; Vallance, Claire; Brouard, Mark; Stapelfeldt, Henrik published the artcile< Communication: Gas-phase structural isomer identification by Coulomb explosion of aligned molecules>, Category: iodides-buliding-blocks, the main research area is gas phase structure difluoroiodobenzene dihydroxybromobenzene; femtosecond laser induced coulomb explosion.

The gas-phase structures of four difluoroiodobenzene and two dihydroxybromobenzene isomers were identified by correlating the emission angles of at. fragment ions created, following femtosecond laser-induced Coulomb explosion. The structural determinations were facilitated by confining the most polarizable axis of each mol. to the detection plane prior to the Coulomb explosion event using one-dimensional laser-induced adiabatic alignment. For a mol. target consisting of two difluoroiodobenzene isomers, each constituent structure could addnl. be singled out and distinguished. (c) 2018 American Institute of Physics.

Journal of Chemical Physics published new progress about Dissociative photoionization, coulomb explosion. 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, Category: iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Boddaert, Thomas; Francois, Cyril; Mistico, Laetitia; Querolle, Olivier; Meerpoel, Lieven; Angibaud, Patrick; Durandetti, Muriel; Maddaluno, Jacques published the artcile< Anionic Access to Silylated and Germylated Binuclear Heterocycles>, Formula: C5H4INO, the main research area is silylated germylated binuclear heterocycle preparation; cyclization; heterocycles; lithium; reaction mechanisms; rearrangement.

A simple access to silylated and germylated binuclear heterocycles, based on an original anionic rearrangement, is described. A set of electron-rich and electron-poor silylated aromatic and heteroaromatic substrates were tested to understand the mechanism and the factors controlling this rearrangement, in particular its regioselectivity. This parameter was shown to follow the rules proposed before from a few examples. Then, the effect of the substituents borne by the silicon itself, in particular the selectivity of the ligand transfer, was studied. Addnl., this chem. was extended to germylated substrates. A hypervalent germanium species, comparable to the putative intermediate proposed with silicon, seems to be involved. However, a pathway implicating the elimination of LiCH2Cl was observed for the first time with this element, leading to unexpected products of the benzo-oxa (or benzo-aza) germol-type.

Chemistry – A European Journal published new progress about Heterocyclic compounds Role: SPN (Synthetic Preparation), PREP (Preparation) (silicon and germanium). 188057-20-7 belongs to class iodides-buliding-blocks, and the molecular formula is C5H4INO, Formula: C5H4INO.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

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; Jabbar, Abdul; Wells, Timothy N. C.; Palmer, Michael J.; Gasser, Robin B.; Baell, Jonathan B. published the artcile< Optimization of Novel 1-Methyl-1H-Pyrazole-5-carboxamides Leads to High Potency Larval Development Inhibitors of the Barber's Pole Worm>, HPLC of Formula: 887266-99-1, the main research area is methylpyrazolecarboxamide larva development inhibitor Barber pole worm.

A phenotypic screen of a diverse library of small mols. for inhibition of the development of larvae of the parasitic nematode Haemonchus contortus led to the identification of a 1-methyl-1H-pyrazole-5-carboxamide derivative with an IC50 of 0.29 μM. Medicinal chem. optimization targeted modifications on the left-hand side (LHS), middle section, and right-hand side (RHS) of the scaffold to elucidate the structure-activity relation (SAR). Strong SAR allowed for the iterative and directed assembly of a focus set of 64 analogs, from which compound 60 was identified as the most potent compound, inhibiting the development of the fourth larval (L4) stage with an IC50 of 0.01 μM. In contrast, only 18% inhibition of the mammary epithelial cell line MCF10A viability was observed, even at concentrations as high as 50 μM.

Journal of Medicinal Chemistry published new progress about Haemonchus contortus. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, HPLC of Formula: 887266-99-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Polivkova, Jana; Piotrowski, David W. published the artcile< Stereodefined Cyclopentanes by Hydroarylation-Ring Opening>, Category: iodides-buliding-blocks, the main research area is stereodefined cyclopentane preparation; hydroarylation azabicycloheptenone nucleophilic ring opening.

The hydroarylation of 2-azabicyclo[2.2.1]hept-5-en-3-one followed by nucleophilic ring opening was employed as an operationally simple route to stereodefined trisubstituted cyclopentane analogs. This synthetic sequence was successfully executed using a variety of nucleophiles including hydroxide, alkoxide, hydride, Grignard reagents, and amines. E.g., hydroarylation of rac-2-azabicyclo[2.2.1]hept-5-en-3-one with PhI, followed by reaction with di-tert-Bu dicarbonate, gave 15% I and 25% II. Ring opening of II with LiOH in water gave 71% cyclopentane derivative (III). This methodol. facilitated the preparation of a constrained version of dipeptidylpeptidase 4 inhibitor sitagliptin.

Synthetic Communications published new progress about Diastereoselective synthesis. 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, Category: iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Lindstroem, Stefan; Ripa, Lena; Hallberg, Anders published the artcile< Synthesis of Two Conformationally Constrained Analogues of the Minor Tobacco Alkaloid Anabasine>, Quality Control of 188057-20-7, the main research area is anabasine spiro analog preparation.

The anabasine analogs spiro[4-azaindan-1,2′-piperidine] and spiro[6-azaindan-1,2′-piperidine] have been prepared A series of palladium-catalyzed reactions, where an intramol. cyclization constituted a key reaction, were utilized for the preparation of the two target compounds

Organic Letters published new progress about Cyclization. 188057-20-7 belongs to class iodides-buliding-blocks, and the molecular formula is C5H4INO, Quality Control of 188057-20-7.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Bag, Subhendu Sekhar; Talukdar, Sangita; Anjali, S. J. published the artcile< Regioselective and stereoselective route to N2-β-tetrazolyl unnatural nucleosides via SN2 reaction at the anomeric center of Hoffer's chloro-sugar>, Related Products of 887266-99-1, the main research area is transition state nucleophilic substitution nucleoside tetrazole preparation crystal structure; regioselective stereoselective substitution DNA nucleoside tetrazole steric effect DFT; 2,5-Disubstituted tetrazoles; Regioselective; S(N)2 reaction; Stereoselective; Tetrazolyl-N2-β-nucleosides.

We are reporting a regioselective and stereoselective route to N2-β-tetrazolyl aromatic donor/acceptor unnatural nucleosides as new class of possible DNA base analogs. The SN2 substitution reaction at the anomeric center of Hoffer’s chloro-sugar with various 5-substituted aromatic tetrazoles in THF in presence of K2CO3 proceeds with regioselectivity at N2-tetrazoles and stereoselectivity at α-chloro-sugar with very good yield. The stereoelectronic and steric effects play a crucial role for the observed outcome which is also supported from a theor. DFT study. The methodol. is simple, eco-compatible and the tetrazolyl unnatural nucleosides might find applications in decorating DNA for various biotechnol. and DNA based material science applications.

Bioorganic & Medicinal Chemistry Letters published new progress about Crystal structure. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Related Products of 887266-99-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Muthukaman, Nagarajan; Deshmukh, Sanjay; Tondlekar, Shital; Tambe, Macchindra; Pisal, Dnyandeo; Sarode, Neelam; Mhatre, Siddharth; Chakraborti, Samitabh; Shah, Daisy; Bhosale, Vikram M.; Kulkarni, Abhay; Mahat, Mahamad Yunnus A.; Jadhav, Satyawan B.; Gudi, Girish S.; Khairatkar-Joshi, Neelima; Gharat, Laxmikant A. published the artcile< Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD>, HPLC of Formula: 887266-99-1, the main research area is imidazolyl biaryl carboxylic acid preparation nitrosoglutathione reductase inhibition SAR; biaryl imidazolyl tetrazole preparation nitrosoglutathione reductase inhibition SAR; Bioavailability; Bronchodilation; Cigarette smoke (CS); GSNOR inhibitor; Glutathione (GSH); Reductase; S-nitrosoglutathione (GSNO).

Design, synthesis and structure-activity relationships (SAR) of novel imidazole-biaryl-tetrazole I [X = C, N; R1 = H, Me, F, Cl, CF3; R2 = H, Me, Et, Cl, cyclopropyl; R3 = H, Me] based GSNOR inhibitors were described. Many potent inhibitor compounds I [X = C, R1 = Cl, R2 = R3 = H; X = C, R1 = R3 = H, R2 = Me, Et; X = C, R1 = Cl, R2 = Me, R3 = H; X = C, R1 = F, R2 = Et, R3 = H; X = N, R1 = F, R2 = Me, R3 = H] and II [X = C, R1 = H, R2 = Me] were identified with low nanomolar activity (IC50s: <15 nM) along with adequate metabolic stability. Lead compounds I [X = C, R1 = Cl, R2 = R3 = H; X = N, R1 = F, R2 = Me, R3 = H] exhibited good exposure and oral bioavailability in mouse pharmacokinetic (PK) study. Compound I [X = C, R1 = Cl, R2 = R3 = H] was selected for further profiling and revealed comparable mouse and rat GSNOR potency, high selectivity against alc. dehydrogenase (ADH) and carbonyl reductase (CBR1) family of enzymes, low efflux ratio and permeability in PAMPA, a high permeability in CALU-3 assay, significantly low hERG activity and minimal off-target activity. Further, an in-vivo efficacy of compound I [X = C, R1 = Cl, R2 = R3 = H] was disclosed in cigarette smoke (CS) induced mouse model for COPD. Bioorganic & Medicinal Chemistry Letters published new progress about Alcohol dehydrogenase inhibitors. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, HPLC of Formula: 887266-99-1.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com