Tag: M.W=100-150

Jacobs, Jon; Grum-Tokars, Valerie; Zhou, Ya; Turlington, Mark; Saldanha, S. Adrian; Chase, Peter; Eggler, Aimee; Dawson, Eric S.; Baez-Santos, Yahira M.; Tomar, Sakshi; Mielech, Anna M.; Baker, Susan C.; Lindsley, Craig W.; Hodder, Peter; Mesecar, Andrew; Stauffer, Shaun R. published the artcile< Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease>, Electric Literature of 672948-03-7, the main research area is butylarylamidopyridinyl acetamide preparation; inhibitor severe acute respiratory syndrome coronavirus 3CL protease; SARS CoV inhibitor antiviral preparation.

A high-throughput screen of the NIH mol. libraries sample collection and subsequent optimization of a lead dipeptide-like series of severe acute respiratory syndrome (SARS) main protease (3CLpro) inhibitors led to the identification of probe compound ML188 (I), [(R)-N-(4-(tert-butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide, Pubchem CID: 46897844]. Unlike the majority of reported coronavirus 3CLpro inhibitors that act via covalent modification of the enzyme, I is a noncovalent SARS-CoV 3CLpro inhibitor with moderate MW and good enzyme and antiviral inhibitory activity. A multicomponent Ugi reaction was utilized to rapidly explore structure-activity relationships within S1′, S1, and S2 enzyme binding pockets. The X-ray structure of SARS-CoV 3CLpro bound with I was instrumental in guiding subsequent rounds of chem. optimization. I provides an excellent starting point for the further design and refinement of 3CLpro inhibitors that act by a noncovalent mechanism of action.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 672948-03-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H3NO3, Electric Literature of 672948-03-7.

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

Molander, Gary A.; Trice, Sarah L. J.; Tschaen, Brittany published the artcile< A modified procedure for the palladium catalyzed borylation/Suzuki-Miyaura cross-coupling of aryl and heteroaryl halides utilizing bis-boronic acid>, HPLC of Formula: 1435-43-4, the main research area is heterocycle aryl compound preparation; aryl halide heteroaryl halide Suzuki Miyaura cross coupling; bisboronic acid; Borylation; Cross-Coupling; Tetrahydroxydiboron; bis-Boronic Acid.

A modified Pd-catalyzed method of forming aryl- and heteroarylboron species and a two-step, one-pot borylation/Suzuki-Miyaura cross coupling using the atom economical tetrahydroxydiboron (bis-boronic acid, BBA) is reported. By using ethylene glycol as an additive, the new method results in increased yields, lower BBA loading, faster reaction times, and a broader reaction scope, including previously problematic substrates such as heterocycles e. g., I.

Tetrahedron published new progress about Aromatic compounds Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, HPLC of Formula: 1435-43-4.

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

Andronati, Serhiy A.; Pavlovsky, Viktor I.; Golovenko, Mykola Ya.; Reder, Anatoliy S.; Larionov, Vitalii B.; Valivodz’., Irina P. published the artcile< Synthesis and extraction efficiency from biological fluids of [214C]Propoxazepam: a potent analgesic with multifunctional mechanism of action>, HPLC of Formula: 128-09-6, the main research area is synthesis extraction biol fluid propoxazepam analgesic pharmacokinetic study.

A method has been developed for the synthesis of isotopically labeled 7-bromo-5-(2-chlorophenyl)-3-propoxy-1H-benzo[e][1,4]diazepin- 2(3H)-one (Propoxazepam) in a six-step synthesis starting from [1 14C]Glycine with the 30% yield. [214C]Propoxazepam was isolated with a specific activity of 2,68 μ Ci/mol, a chem. purity of 99.0%, and a radiochem. purity of 89.8%. In the model experiments there were rationed the quantity of sequential extractions and extragents volumes ratio to provide 90%, 95% or 99% of significance level extraction The estimated anal. characteristics of the method (coefficient of variation ωs = 3,33%, relative error ε = 9,53%) make it possible for use in pharmacokinetic studies in animals.

Journal of Chemical, Biological and Physical Sciences published new progress about Analgesics. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, HPLC of Formula: 128-09-6.

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

Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L. published the artcile< Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst>, Application In Synthesis of 128-09-6, the main research area is regioselective electrophilic chlorination phenol aniline Lewis basic selenoether catalyst.

We report a highly efficient ortho-selective electrophilic chlorination of phenols utilizing a Lewis basic selenoether catalyst. The selenoether catalyst resulted in comparable selectivities to our previously reported bis-thiourea ortho-selective catalyst, with a catalyst loading as low as 1%. The new catalytic system also allowed us to extend this chem. to obtain excellent ortho-selectivities for unprotected anilines. The selectivities of this reaction are up to >20:1 ortho/para, while the innate selectivities for phenols and anilines are approx. 1:4 ortho/para. A series of preliminary studies revealed that the substrates require a hydrogen-bonding moiety for selectivity.

Journal of Organic Chemistry published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Application In Synthesis of 128-09-6.

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

Reddy, Raju Jannapu; Kumar, Jangam Jagadesh; Kumari, Arram Haritha published the artcile< Unprecedented Reactivity of β-Iodovinyl Sulfones: An Efficient Synthesis of β-Keto Sulfones and β-Keto Thiosulfones>, Synthetic Route of 128-09-6, the main research area is iodovinyl sulfone oxidation sulfenylation sodium acetate; keto sulfone preparation; beta keto thiosulfone preparation.

An unprecedented reactivity of (E)-β-iodovinyl sulfones in the presence of NaOAc is reported. The (E)-β-iodovinyl sulfones were treated with NaOAc in DMSO/H2O to yield β-keto sulfones in moderate to high yields. A novel oxidative difunctionalization of β-iodovinyl sulfones with thiosulfonates and NaOAc in DMF has been developed. This metal-free oxosulfenylation is an operationally simple to access a wide range of β-keto thiosulfones (α-thioaryl-β-keto sulfones) in moderate to high yields. The transformations were reliable at gram-scale, thus illustrating its efficiency and practicality. A plausible mechanism for the protocol is also proposed.

European Journal of Organic Chemistry published new progress about Ketones, sulfones Role: SPN (Synthetic Preparation), PREP (Preparation). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Synthetic Route of 128-09-6.

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

Kuehn, Laura; Huang, Mingming; Radius, Udo; Marder, Todd B. published the artcile< Copper-catalysed borylation of aryl chlorides>, Computed Properties of 1435-43-4, the main research area is catalytic borylation aryl chloride preparation arylboronic acid copper NHC; copper NHC catalyst borylation aryl chloride pinacoldiboronate.

We report herein the first Cu-catalyzed borylation of a wide range of aryl chlorides with different electronic and steric properties using a readily prepared NHC-stabilized Cu catalyst and KOtBu as the base with B2pin2 (pin = pinacolato) as the boron reagent. The aryl chlorides are converted into their corresponding arylboronic esters in good yields. The new procedure shows broad functional group tolerance, and B2neop2 (neop = neopentyl glycolato) can also be applied as the boron reagent.

Organic & Biomolecular Chemistry published new progress about Aryl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Computed Properties of 1435-43-4.

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

Stafford, Alex; Ahn, Dowon; Raulerson, Emily K.; Chung, Kun-You; Sun, Kaihong; Cadena, Danielle M.; Forrister, Elena M.; Yost, Shane R.; Roberts, Sean T.; Page, Zachariah A. published the artcile< Catalyst Halogenation Enables Rapid and Efficient Polymerizations with Visible to Far-Red Light>, Formula: C4H4ClNO2, the main research area is catalyst halogenation rapid polymerization visible Far Red light; high resolution visible light 3D printing.

The driving of rapid polymerizations with visible to near-IR light will enable nascent technologies in the emerging fields of bio- and composite-printing. However, current photopolymerization strategies are limited by long reaction times, high light intensities, and/or large catalyst loadings. The improvement of efficiency remains elusive without a comprehensive, mechanistic evaluation of photocatalysis to better understand how composition relates to polymerization metrics. With this objective in mind, a series of methine- and aza-bridged boron dipyrromethene (BODIPY) derivatives were synthesized and systematically characterized to elucidate key structure-property relationships that facilitate efficient photopolymerization driven by visible to far-red light. For both BODIPY scaffolds, halogenation was shown as a general method to increase polymerization rate, quant. characterized using a custom real-time IR spectroscopy setup. Furthermore, a combination of steady-state emission quenching experiments, electronic structure calculations, and ultrafast transient absorption revealed that efficient intersystem crossing to the lowest excited triplet state upon halogenation was a key mechanistic step to achieving rapid photopolymerization reactions. Unprecedented polymerization rates were achieved with extremely low light intensities (<1 mW/cm2) and catalyst loadings (<50 μM), exemplified by reaction completion within 60 s of irradiation using green, red, and far-red light-emitting diodes. Halogenated BODIPY photoredox catalysts were addnl. employed to produce complex 3D structures using high-resolution visible light 3D printing, demonstrating the broad utility of these catalysts in additive manufacturing Journal of the American Chemical Society published new progress about Attenuated-total-reflectance IR spectroscopy. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Formula: C4H4ClNO2.

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

Brinck, Tore; Carlqvist, Peter; Stenlid, Joakim H. published the artcile< Local Electron Attachment Energy and Its Use for Predicting Nucleophilic Reactions and Halogen Bonding>, Name: 1-Chloro-3,5-difluorobenzene, the main research area is electron attachment prediction nucleophilic reaction halogen bond B3LYP MP2.

A new local property, the local electron attachment energy [E(r)], is introduced and is demonstrated to be a useful guide to predict intermol. interactions and chem. reactivity. The E(r) is analogous to the average local ionization energy, but indicates susceptibility toward interactions with nucleophiles rather than electrophiles. The functional form E(r) is motivated based on Janak’s theorem and the piecewise linear energy dependence of electron addition to at. and mol. systems. Within the generalized Kohn-Sham method (GKS-DFT), only the virtual orbitals with neg. eigenvalues contribute to E(r). In the present study E(r) has been computed from orbitals obtained from GKS-DFT computations with a hybrid exchange-correlation functional. It is shown that E(r) computed on a mol. isodensity surface, ES(r), reflects the regioselectivity and relative reactivity for nucleophilic aromatic substitution, nucleophilic addition to activated double bonds, and formation of halogen bonds. Good to excellent correlations between exptl. or theor. measures of interaction strengths and min. in ES(r) (ES,min) are demonstrated.

Journal of Physical Chemistry A published new progress about Bond activation. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Name: 1-Chloro-3,5-difluorobenzene.

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

Losev, Vladimir N.; Parfenova, Victoriya V.; Elsuf’ev, Evgeney V.; Borodina, Elena V.; Metelitsa, Segey I.; Trofimchuk, Anatoliy K. published the artcile< Separation and preconcentration followed by ICP-OES and ICP-MS determination of precious metals using silica gel chemically modified with dithiocarbamate groups>, SDS of cas: 128-09-6, the main research area is metal silica gel dithiocarbamate separation preconcentration ICPOES ICPMS.

Silica gel chem. modified with dithiocarbamate groups (DTCS) was used for separation and preconcentration of precious metals and their subsequent determination in geol. samples and their processing products by inductively coupled plasma optical emission spectrometry and inductively coupled plasma mass spectrometry. DTCS was characterized by TGA/DSC, FT-IR, and CHNS-anal. DTCS quant. extracted Au3+, Pd2+, Pt2+, Pt4+ at 20°C from 0.5 to 4.0 M HCl media and Rh3+, Ir4+, Ru4+, and Os4+ at 95°C in the presence of 0.025 M SnCl2. Two-column procedure was proposed to sep. precious metals from matrix components and to sep. kinetically inert precious metals from kinetically labile ones.

Separation Science and Technology (Philadelphia, PA, United States) published new progress about Adsorbents. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, SDS of cas: 128-09-6.

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

Tian, Zhenhao; Ding, Lele; Li, Kun; Song, Yunqing; Dou, Tongyi; Hou, Jie; Tian, Xiangge; Feng, Lei; Ge, Guangbo; Cui, Jingnan published the artcile< Rational Design of a Long-Wavelength Fluorescent Probe for Highly Selective Sensing of Carboxylesterase 1 in Living Systems>, Category: chlorides-buliding-blocks, the main research area is design long wavelength fluorescence sensing carboxylesterase 1.

Rational design of practical probes with excellent specificity and improved optical properties for a particular enzyme is always a big challenge. Herein, a practical and highly specific fluorescent probe for carboxylesterase 1 (CES1) was rationally designed using meso-carboxyl-BODIPY as the basic fluorophore based on the substrate preference and catalytic properties of CES1. Following mol. docking-based virtual screening combined with reaction phenotyping-based exptl. screening, we found that MMB (probe 7) exhibited the optimal combination of sensitivity and specificity toward human CES1 in contrast to other ester derivatives Under physiol. conditions, MMB could be readily hydrolyzed by CES1 and release MCB; such biotransformation brought great changes in the electronic properties at the meso position of the fluorophore and triggered a dramatic increase in fluorescence emission around 595 nm. Moreover, MMB was cell membrane permeable and was successfully applied to monitor the real activities of CES1 in various biol. samples including living cells, tissue slices, organs, and zebrafish. In summary, this study showed a good example for constructing specific fluorescent probe(s) for a target enzyme and also provided a practical and sensitive tool for real-time sensing of CES1 activities in complicated biol. samples. All these findings would strongly facilitate high-throughput screening of CES1 modulators and the studies on CES1-associated physiol. and pathol. processes.

Analytical Chemistry (Washington, DC, United States) published new progress about Danio rerio. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Category: chlorides-buliding-blocks.

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