Category: 887266-99-1

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

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

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

Liu, Yuliang; Li, Haoyu; Chiba, Shunsuke published the artcile< Photoinduced Cross-Coupling of Aryl Iodides with Alkenes>, HPLC of Formula: 887266-99-1, the main research area is aryl iodide alkene photoinduced cross coupling UV absorption.

A protocol for photoinduced cross-coupling of aryl iodides having polar π-functional groups or elongated π-conjugation with alkenes was developed. The radical cascade mechanism involving generation of aryl radicals via C-I bond homolysis of photoexcited aryl iodides and their subsequent addition to alkenes was proposed. The method enabled iodide-selective cross-coupling over other halogen leaving groups with functional group compatibility on both arene and alkene motifs.

Organic Letters published new progress about Aralkyl ketones Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Sugihara, Naoki; Suzuki, Kensuke; Nishimoto, Yoshihiro; Yasuda, Makoto published the artcile< Photoredox-Catalyzed C-F Bond Allylation of Perfluoroalkylarenes at the Benzylic Position>, Name: 3-Fluoro-4-iodobenzonitrile, the main research area is pperfluoroalkylarene allylic stannane defluoroallylation iridium photoredox catalyst.

Site-selective and direct C-F bond transformation of perfluoroalkylarenes was achieved with allylic stannanes via an iridium photoredox catalyst system. The present defluoroallylation proceeds exclusively at the benzylic position through perfluoroalkyl radicals generated by a single-electron transfer from an excited photoredox catalyst to perfluoroalkylarenes. A variety of perfluoroalkyl groups are applicable: linear perfluoroalkyl-substituted arenes such as Ar-nC4F9 and Ar-nC6F13 and heptafluoroisopropylarenes (Ar-CF(CF3)2) underwent site-selective defluoroallylation. DFT calculation studies revealed that the in situ generated Bu3SnF traps F- to prevent a retroreaction from the unstable perfluoroalkyl radical intermediate, and the radical intermediate favorably reacts with allylic stannanes. The synthesis of a bis(trifluoromethyl)methylene unit containing compound, which is an analog that is useful as a pharmaceutical agent for the prophylaxis or treatment of diabetes and inflammatory diseases, demonstrated the utility of this reaction.

Journal of the American Chemical Society published new progress about Allylation (defluoro-. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Name: 3-Fluoro-4-iodobenzonitrile.

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

Kervefors, Gabriella; Kersting, Leonard; Olofsson, Berit published the artcile< Transition metal-free N-arylation of amino acid esters with diaryliodonium salts>, Formula: C7H3FIN, the main research area is arylated amino acid ester synthesis transition metal free; amino acid ester arylation diaryliodonium salt hypervalent reagent; arylation reaction mechanism solvent effect protective group; amino acids; arylation; diaryliodonium salts; hypervalent compounds; transition metal-free.

A transition metal-free approach for the N-arylation of amino acid derivatives has been developed. Key to this method is the use of unsym. diaryliodonium salts with anisyl ligands, which proved important to obtain high chemoselectivity and yields. The scope includes the transfer of both electron deficient, electron rich and sterically hindered aryl groups with a variety of different functional groups. Furthermore, a cyclic diaryliodonium salt was successfully employed in the arylation. The N-arylated products were obtained with retained enantiomeric excess.

Chemistry – A European Journal published new progress about Amino acid esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Formula: C7H3FIN.

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

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

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; Wells, Timothy N. C.; Palmer, Michael J.; Jabbar, Abdul; Gasser, Robin B.; Baell, Jonathan B. published the artcile< Novel 1-Methyl-1H-pyrazole-5-carboxamide Derivatives with Potent Anthelmintic Activity>, Recommanded Product: 3-Fluoro-4-iodobenzonitrile, the main research area is anthelmintic resistance phenotypic screen Haemonchus SAR hookworms whipworms.

A phenotypic screen of two different libraries of small mols. against the motility and development of the parasitic nematode Haemonchus contortus led to the identification of two 1-methyl-1H-pyrazole-5-carboxamide derivatives Medicinal chem. optimization targeted modifications of the left-hand side, middle section, and right-hand side of the hybrid structure of these two hits to elucidate the structure-activity relationship (SAR). Initial SAR around these hits allowed for the iterative and directed assembly of a focused set of 30 analogs of their hybrid structure. Compounds 10, 17, 20, and 22 were identified as the most potent compounds, inhibiting the development of the fourth larval (L4) stage of H. contortus at sub-nanomolar potencies while displaying strong selectivity toward the parasite when tested in vitro against the human MCF10A cell line. In addition, compounds 9 and 27 showed promising activity against a panel of other parasitic nematodes, including hookworms and whipworms.

Journal of Medicinal Chemistry published new progress about Anthelmintics. 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Recommanded Product: 3-Fluoro-4-iodobenzonitrile.

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

Cabrita, Ivania; Fernandes, Ana C. published the artcile< A novel efficient and chemoselective method for the reduction of nitriles using the system silane/oxo-rhenium complexes>, Application In Synthesis of 887266-99-1, the main research area is rhenium catalyzed reduction nitrile reactant primary amine preparation; oxo rhenium catalyzed reduction nitrile reactant amine preparation.

This work reports the reduction of nitriles to the corresponding primary amines, e.g. 4-I-3-FC6H3CH2NH2 and 4-MeSC6H4CH2NH2, with silanes catalyzed by oxo-rhenium complexes. The catalytic system PhSiH3/ReIO2(PPh3)2 (10 mol %) reduced efficiently a series of nitriles in the presence of a wide range of functional groups such as -Cl, -F, -Br, -I, -CF3, -OCH3, -SCH3, -SO2CH3 and -NHTs.

Tetrahedron published new progress about Nitriles Role: RCT (Reactant), RACT (Reactant or Reagent). 887266-99-1 belongs to class iodides-buliding-blocks, and the molecular formula is C7H3FIN, Application In Synthesis of 887266-99-1.

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