Category: 350-30-1

Spagnuolo, Lauren A. published the artcileEvaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors, Formula: C6H3ClFNO2, the publication is Journal of the American Chemical Society (2017), 139(9), 3417-3429, database is CAplus and MEDLINE.

A critical goal of lead compound selection and optimization is to maximize target engagement while minimizing off-target binding. Since target engagement is a function of both the thermodn. and kinetics of drug-target interactions, it follows that the structures of both the ground states and transition states on the binding reaction coordinate are needed to rationally modulate the lifetime of the drug-target complex. Previously, the authors predicted the structure of the rate-limiting transition state that controlled the time-dependent inhibition of the enoyl-ACP reductase InhA. This led to the discovery of a triazole-containing di-Ph ether with an increased residence time on InhA due to transition state destabilization rather than ground state stabilization. In the present work, the authors have evaluated the inhibition of InhA by 14 triazole-based di-Ph ethers and used a combination of enzyme kinetics and x-ray crystallog. to generate a structure-kinetic relationship (SKR) for time-dependent binding. The authors show that the triazole motif slows the rate of formation for the final drug-target complex by up to three orders of magnitude. In addition, the authors identify a novel inhibitor with a residence time on InhA of 220 min which is 3.5-fold longer than that of the INH-NAD adduct formed by the tuberculosis drug, isoniazid. This study provides a clear example in which the lifetime of the drug-target complex is controlled by interactions in the transition state for inhibitor binding rather than the ground state of the enzyme-inhibitor complex, and demonstrates the important role that on-rates can play in drug-target residence time.

Journal of the American Chemical Society published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C14H22O2, Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cid, Jose Maria published the artcileDiscovery of 1,4-Disubstituted 3-Cyano-2-pyridones: A New Class of Positive Allosteric Modulators of the Metabotropic Glutamate 2 Receptor, Category: chlorides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2012), 55(5), 2388-2405, database is CAplus and MEDLINE.

The discovery and characterization of compound 48, a selective and in vivo active mGlu2 receptor pos. allosteric modulator (PAM), are described. A key to the discovery was the rational exploration of the initial HTS hit 13 guided by an overlay model built with reported mGlu2 receptor PAM chemotypes. The initial weak in vitro activity of the hit 13 was quickly improved, although compounds still had suboptimal druglike properties. Subsequent modulation of the physicochem. properties resulted in compounds having a more balanced profile, combining good potency and in vivo pharmacokinetic properties. Final refinement by addressing cardiovascular safety liabilities led to the discovery of compound (I). Besides good potency, selectivity, and ADME properties, I displayed robust in vivo activity in a sleep-wake EEG (sw-EEG) assay consistent with mGlu2 receptor activation, in accordance with previous work from our laboratories

Journal of Medicinal Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kelgtermans, Hans published the artcileA Fragment-Based Approach toward Substituted Trioxa[7]helicenes, HPLC of Formula: 350-30-1, the publication is Organic Letters (2012), 14(20), 5200-5203, database is CAplus and MEDLINE.

A series of novel substituted trioxa[7]helicenes have been successfully prepared by a one-pot palladium catalyzed C-H arylation reaction starting from readily prepared dibenzofuran fragments. The dinitro-substituted helicene I was analyzed by X-ray crystallog. revealing the occurrence of two distinct enantiomers in the asym. unit, which forms interesting supramol. motifs in the crystal, based on weak H-bonding interactions.

Organic Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, HPLC of Formula: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kelgtermans, Hans published the artcileSynthesis of Functionalized Dioxa-aza[7]helicenes Using Palladium Catalyzed Arylations, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Organic Letters (2012), 14(6), 1500-1503, database is CAplus and MEDLINE.

Despite the recent reports on transition-metal catalyzed cycloisomerization strategies toward helicenes, the amount of palladium catalyzed routes remains rather scarce. Within this letter the successful preparation and characterization of novel dioxa-aza[7]helicenes using palladium mediated coupling reactions is presented.

Organic Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Shen, Ni published the artcileDirect amide synthesis via Ni-mediated aminocarbonylation of arylboronic acids with CO and nitroarenes, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Chemical Communications (Cambridge, United Kingdom) (2019), 55(91), 13709-13712, database is CAplus and MEDLINE.

An alternative and unconventional approach of an aminocarbonylation reaction to access aryl amides from readily available and low-cost arylboronic acids and nitroarenes was described. Nickel metal served as both reductant and catalyst in this direct aminocarbonylation. This protocol exhibited a good functional group compatibility and allows a variety of aryl amides to be synthesized, including several drug-like mols.

Chemical Communications (Cambridge, United Kingdom) published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C3H6F3N, Name: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Garcia-Barrantes, Pedro M. published the artcileLead optimization of the VU0486321 series of mGlu₁ PAMs. Part 3. Engineering plasma stability by discovery and optimization of isoindolinone analogs, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Bioorganic & Medicinal Chemistry Letters (2016), 26(8), 1869-1872, database is CAplus and MEDLINE.

This Letter describes the further lead optimization of the VU0486321 series of mGlu₁ pos. allosteric modulators (PAMs), focused on addressing the recurrent issue of plasma instability of the phthalimide moiety. Here, the authors evaluated a number of phthalimide bioisosteres, and ultimately identified isoindolinones as the ideal replacement that effectively address plasma instability, while maintaining acceptable mGlu₁ PAM potency, DMPK profile, CNS penetration and mGluR selectivity.

Bioorganic & Medicinal Chemistry Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fan, Ao published the artcilePhosphonium ionic liquids as highly thermal stable and efficient phase transfer catalysts for solid-liquid Halex reactions, SDS of cas: 350-30-1, the publication is Catalysis Today (2012), 198(1), 300-304, database is CAplus.

Trihexyl (tetradecyl) phosphonium tetrafluoroborate was found to be an active catalyst for the introduction of fluoride by nucleophilic aromatic substitution. With a decomposition temperature above 300 °C, this ionic liquid is suitable for reactions at high temperatures The addition of 1 mol% of the ionic liquid relative to KF increased the initial rate for the fluorination of 1,2-dichloro-4-nitrobenzene six-fold compared to the uncatalyzed reaction. The highest reaction rate was observed at 20 mol% ionic liquid relative to KF. Ease of handling without the need for stringent drying conditions and reuseability make this ionic liquid a useful phase transfer catalyst.

Catalysis Today published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, SDS of cas: 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Murugesan, Kathiravan published the artcileReductive amination using cobalt-based nanoparticles for synthesis of amines, Application In Synthesis of 350-30-1, the publication is Nature Protocols (2020), 15(4), 1313-1337, database is CAplus and MEDLINE.

In this protocol, the preparation of carbon-supported cobalt-based nanoparticles as efficient and practical catalysts for synthesis of different kinds of amines by reductive aminations was described. Template synthesis of a cobalt-triethylenediamine-terephthalic acid metal-organic framework on carbon and subsequent pyrolysis to remove the organic template resulted in the formation of supported single cobalt atoms and nanoparticles. Applying these catalysts, structurally diverse benzylic, aliphatic and heterocyclic primary, secondary and tertiary amines, including pharmaceutically relevant products, starting from inexpensive and easily accessible carbonyl compounds with ammonia, nitro compounds or amines and mol. hydrogen were synthesized. To prepare this cobalt-based catalyst took 26 h, and the reported catalytic reductive amination reactions could be carried out within 18-28 h.

Nature Protocols published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics