Tag: M.W=200-250

Hanessian, Stephen; Therrien, Eric; van Otterlo, Willem A. L.; Bayrakdarian, Malken; Nilsson, Ingemar; Fjellstroem, Ola; Xue, Yafeng published the artcile< Phenolic P2/P3 core motif as thrombin inhibitors - design, synthesis, and X-ray co-crystal structure>, Formula: C7H6Cl2O2S, the main research area is trisubstituted phenol preparation thrombin inhibitor.

Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analog (I) showed excellent antithrombin activity. An X-ray co-crystal structure of I bound to thrombin showed the expected interactions.

Bioorganic & Medicinal Chemistry Letters published new progress about Phenols Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Formula: C7H6Cl2O2S.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wang, Bingbing; Peng, Pan; Ma, Wan; Liu, Zhao; Huang, Cheng; Cao, Yangmin; Hu, Ping; Qi, Xiaotian; Lu, Qingquan published the artcile< Electrochemical Borylation of Alkyl Halides: Fast, Scalable Access to Alkyl Boronic Esters>, Synthetic Route of 16799-05-6, the main research area is electrochem borylation alkyl halide reduction mechanism DFT; alkyl boronic ester preparation electrochem; mol structure optimized boronic ester alkyl halide DFT.

Herein, a fast, scalable, and transition-metal-free borylation of alkyl halides (X = I, Br, Cl) enabled by electroreduction is reported. This process provides an efficient and practical access to primary, secondary, and tertiary boronic esters at a high current. More than 70 examples, including the late-stage borylation of natural products and drug derivatives, are furnished at room temperature, thereby demonstrating the broad utility and functional-group tolerance of this protocol. Mechanistic studies disclosed that B2cat2 serves as both a reagent and a cathodic mediator, enabling electroreduction of difficult-to-reduce alkyl bromides or chlorides at a low potential.

Journal of the American Chemical Society published new progress about Bond cleavage. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Synthetic Route of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Catarzi, Daniela; Colotta, Vittoria; Varano, Flavia; Calabri, Francesca Romana; Filacchioni, Guido; Galli, Alessandro; Costagli, Chiara; Carla, Vincenzo published the artcile< Synthesis and Biological Evaluation of Analogues of 7-Chloro-4,5-dihydro-4- oxo-8-(1,2,4-triazol-4-yl)-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylic Acid (TQX-173) as Novel Selective AMPA Receptor Antagonists>, Quality Control of 35375-74-7, the main research area is TQX 173 preparation AMPA receptor antagonist; carboxypyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; pyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; triazolyl pyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; imidazolyl pyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; amino pyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; kainate aminopyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; neuroprotective aminopyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; anticonvulsant aminopyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist; cytoprotective aminopyrrolyl triazoloquinoxalinecarboxylate TQX 173 preparation AMPA receptor antagonist.

In recent papers (Catarzi, D.; et al. J. Med. Chem. 2000, 43, 3824-3826; 2001, 44, 3157-3165) the authors reported chem. and biol. studies on 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylates (TQXs) bearing different nitrogen-containing heterocycles at position-8. In particular, from these studies it emerged that both the 7-chloro-4,5-dihydro-4-oxo-8-(1,2,4-triazol-4-yl)-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylic acid TQX-173 and its corresponding Et ester were the most active and selective compounds of this series. In pursuing the investigation on the structure-activity relationships of these TQX derivatives, different electron-withdrawing groups (CF3, NO2) were introduced at position 7 on the TQX ring system, replacing the 7-chloro substituent of TQX-173 and of other selected 8-heteroaryltriazoloquinoxaline-2-carboxylates previously described. All the newly synthesized compounds were biol. evaluated for their binding at the Gly/NMDA, AMPA, and KA high-affinity receptors. Gly/NMDA binding assays were performed to assess the selectivity of the reported compounds toward the AMPA receptor. Compounds endowed with micromolar binding affinity for the KA high-affinity binding site were also evaluated for their binding at the KA low-affinity receptor. Some selected compounds were also tested for their functional antagonist activity at the AMPA and NMDA receptor-ion channel complex. The results obtained in this study have pointed out that 4,5-dihydro-7-nitro-4-oxo-8-(3-carboxypyrrol-1-yl)-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylic acid and its corresponding Et ester are the most potent and selective AMPA receptor antagonists reported to date among the TQX series.

Journal of Medicinal Chemistry published new progress about AMPA receptors Role: BCP (Biochemical Process), BIOL (Biological Study), PROC (Process) (AMPA receptor antagonists). 35375-74-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3N2O2, Quality Control of 35375-74-7.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Hoque, Emdadul Md; Bisht, Ranjana; Unnikrishnan, Anju; Dey, Sayan; Mahamudul Hassan, Mirja Md; Guria, Saikat; Rai, Rama Nand; Sunoj, Raghavan B.; Chattopadhyay, Buddhadeb published the artcile< Iridium-Catalyzed Ligand-Controlled Remote para-Selective C-H Activation and Borylation of Twisted Aromatic Amides>, SDS of cas: 162046-61-9, the main research area is regioselective remote para borylation CH activation twisted aromatic amide; aryl boronate preparation regioselective remote para borylation aromatic amide; potential energy surface para CH borylation twisted aromatic amide; Borylation; C−H Activation; Density Functional Calculations; Iridium Catalyst; Para Selectivity.

A method of para-selective borylation of fully twisted aromatic amides ArCONBoc2 is described, yielding boronamides 4-pinBC6HnX4-nCONBoc2 (X = alkyl, alkoxy, aryl, halo, CN). The borylation proceeded via an unprecedented substrate-ligand distortion between the twisted aromatic amides and a newly designed ligand framework, 4,5-diaza-9H-fluorene (defa) that is different from the traditionally used ligand (dtbpy) for the C-H borylation reactions. The designed ligand defa has led to the development of a new type of catalytic system that shows excellent para selectivity for a range of aromatic amides. Moreover, the designed ligand has shown excellent reactivity and selectivity for a range of heterocyclic aromatic amides. The identification of key transition states and intermediates using the DFT computations associated with the three regio-isomeric pathways revealed that the most efficient catalytic pathway with the defa ligand leads to the para borylation while in the case of bpy the borylation at the para and meta sites compete.

Angewandte Chemie, International Edition published new progress about Aromatic amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, SDS of cas: 162046-61-9.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Xu, Hui; Zhang, Hong; Tong, Qing-Xiao; Zhong, Jian-Ji published the artcile< Photoredox/cobaloxime co-catalyzed allylation of amines and sulfonyl hydrazides with olefins to access α-allylic amines and allylic sulfones>, Safety of 3-Chloro-4-methylbenzene-1-sulfonyl chloride, the main research area is allylic amine preparation green chem; phenyl tetrahydroisoquinoline methylpropenoate allylation photoredox cobaloxime catalyst; allyl sulfone preparation green chem; sulfonyl hydrazide methyl styrene allylic sulfonylation photoredox cobaloxime catalyst.

A dual-catalytic platform for the allylation of N-phenyltetrahydroisoquinolines I (R = R1 = H, OMe; R2 = H, 3-Me, 2-OMe, 4-Cl) and sulfonyl hydrazides R3SO2NHNH2 (R3 = Ph, cyclopropyl, Pr, etc.) with olefins CH3C(=CH2)R4 (R4 = C(O)OMe, C(O)OCH(CH3)2, C6H5, 4-ClC6H4, etc.) to selectively access α-allylic amines II and allylic sulfones R3SO2CH2C(=CH2)R4 in good yields by combining photoredox catalysis and cobaloxime catalysis was reported. This strategy avoided the use of a stoichiometric amount of terminal oxidant and the use of pre-functionalized allylic precursors, representing a green and ideal atom- & step-economical process. Good substrate scope and gram-scale synthesis demonstrated the utility of this protocol. Mechanistic studies revealed that a radical process is probably involved in this reaction.

Organic & Biomolecular Chemistry published new progress about Allylation. 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Safety of 3-Chloro-4-methylbenzene-1-sulfonyl chloride.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ningegowda, Raghu; Chandrashekharappa, Sandeep; Singh, Vinayak; Mohanlall, Viresh; Venugopala, Katharigatta N. published the artcile< Design, synthesis and characterization of novel 2-(2,3-dichlorophenyl)-5-aryl-1,3,4-oxadiazole derivatives for their anti-tubercular activity against Mycobacterium tuberculosis>, COA of Formula: C8H6Cl2O2, the main research area is dichlorophenyl aryl oxadiazole preparation antitubercular.

A novel series of 2-(2,3-dichlorophenyl)-5-aryl-1,3,4-oxadiazole derivatives I [R = 3-BrC6H4, 2,3-di-ClC6H3, isoxazol-5-yl, etc.] was synthesized by three-step chem. synthesis and purified by column chromatog. method. The antimycobacterial activity of the title compounds I was evaluated against Mycobacterium tuberculosis H37RvMa strain (ATCC 27294) by the broth micron-dilution method. The title compound I [R = 3-NO2-4-FC6H3] emerged as a promising anti-TB agent at 62.5μg/mL.

Chemical Data Collections published new progress about Benzoic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, COA of Formula: C8H6Cl2O2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Carter, Malcolm C.; Alber, Dagmar G.; Baxter, Robert C.; Bithell, Sian K.; Budworth, Jo; Chubb, Ann; Cockerill, G. Stuart; Dowdell, Verity C. L.; Henderson, Elisa A.; Keegan, Sally J.; Kelsey, Richard D.; Lockyer, Michael J.; Stables, Jeremy N.; Wilson, Lara J.; Powell, Kenneth L. published the artcile< 1,4-Benzodiazepines as Inhibitors of Respiratory Syncytial Virus>, Product Details of C8H4ClF3O2, the main research area is respiratory syncytial virus benzodiazepine derivative SAR preparation RSV.

Respiratory syncytial virus (RSV) is the cause of one-fifth of all lower respiratory tract infections worldwide and is increasingly being recognized as a serious threat to patient groups with poorly functioning immune systems. Our approach to finding a novel inhibitor of this virus was to screen a 20 000-member diverse library in a whole cell XTT assay. Parallel assays were carried out in the absence of virus in order to quantify any associated cell toxicity. This identified 100 compounds with IC50’s less than 50 μM. A-33903 (18), a 1,4-benzodiazepine analog, was chosen as the starting point for lead optimization. This mol. was moderately active and demonstrated good pharmacokinetic properties. The most potent compounds identified from this work were A-58568 (47), A-58569 (44), and A-62066 (46), where modifications to the aromatic substitution enhanced potency, and A-58175 (42), where the amide linker was modified.

Journal of Medicinal Chemistry published new progress about Immunodeficiency. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Product Details of C8H4ClF3O2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ahmed-Belkacem, Rostom; Hausdorff, Marcel; Delpal, Adrien; Sutto-Ortiz, Priscila; Colmant, Agathe M. G.; Touret, Franck; Ogando, Natacha S.; Snijder, Eric J.; Canard, Bruno; Coutard, Bruno; Vasseur, Jean-Jacques; Decroly, Etienne; Debart, Francoise published the artcile< Potent Inhibition of SARS-CoV-2 nsp14 N7-Methyltransferase by Sulfonamide-Based Bisubstrate Analogues>, Category: chlorides-buliding-blocks, the main research area is SARSCoV2 nsp14 methyltransferase inhibitor synthesis COVID19 sulfonamide bisubstrate analog.

Enzymes involved in RNA capping of SARS-CoV-2 are essential for the stability of viral RNA, translation of mRNAs, and virus evasion from innate immunity, making them attractive targets for antiviral agents. In this work, we focused on the design and synthesis of nucleoside-derived inhibitors against the SARS-CoV-2 nsp14 (N7-guanine)-methyltransferase (N7-MTase) that catalyzes the transfer of the Me group from the S-adenosyl-L-methionine (SAM) cofactor to the N7-guanosine cap. Seven compounds out of 39 SAM analogs showed remarkable double-digit nanomolar inhibitory activity against the N7-MTase nsp14. Mol. docking supported the structure-activity relationships of these inhibitors and a bisubstrate-based mechanism of action. The three most potent inhibitors significantly stabilized nsp14 (ΔTm ≈ 11°C), and the best inhibitor demonstrated high selectivity for nsp14 over human RNA N7-MTase.

Journal of Medicinal Chemistry published new progress about Anticoronaviral agents. 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Fischer, P.; Loesch, G.; Schmidt, R. R. published the artcile< Carbon-13 NMR in configurational assignment of ribofuranosyl purine nucleosides>, Category: chlorides-buliding-blocks, the main research area is configuration ribofuranosylpurine nucleoside; carbon NMR nucleoside configuration.

13C NMR spectroscopy was used to distinguish between the isomeric nucleosides I (R = Cl, R1 = H; R = H, R1 = Cl; R = R1 = Cl). Comparison with the spectra of model compounds enabled the distinction between 7- and 9-purine substitution.

Tetrahedron Letters published new progress about NMR (nuclear magnetic resonance). 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Raimundo, Brian C.; Oslob, Johan D.; Braisted, Andrew C.; Hyde, Jennifer; McDowell, Robert S.; Randal, Mike; Waal, Nathan D.; Wilkinson, Jennifer; Yu, Chul H.; Arkin, Michelle R. published the artcile< Integrating Fragment Assembly and Biophysical Methods in the Chemical Advancement of Small-Molecule Antagonists of IL-2: An Approach for Inhibiting Protein-Protein Interactions>, Recommanded Product: Methyl 2,3-dichlorobenzoate, the main research area is interleukin 2 receptor antagonist drug design.

Fragment assembly has shown promise for discovering small-mol. antagonists for difficult targets, including protein-protein interactions. Here, the authors describe a process for identifying a 60 nM inhibitor of the interleukin-2 (IL-2)/IL-2 receptor (IL-2Rα) interaction. By use of fragment-based approaches, a compound with millimolar affinity was evolved to a hit series with low micromolar activity, and these compounds were optimized into a lead series with nanomolar affinity. Fragment assembly was useful not only for hit identification, but also for lead optimization. Throughout the discovery process, biophys. methods and structural biol. demonstrated that compounds bound reversibly to IL-2 at the IL-2 receptor binding site.

Journal of Medicinal Chemistry published new progress about CD25 antigens Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (antagonists). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Recommanded Product: Methyl 2,3-dichlorobenzoate.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics