Month: December 2022

Buffa, Jennifer A. published the artcileThe microbial gbu gene cluster links cardiovascular disease risk associated with red meat consumption to microbiota L-carnitine catabolism, Related Products of chlorides-buliding-blocks, the publication is Nature Microbiology (2022), 7(1), 73-86, database is CAplus and MEDLINE.

Abstract: The heightened cardiovascular disease (CVD) risk observed among omnivores is thought to be linked, in part, to gut microbiota-dependent generation of trimethylamine-N-oxide (TMAO) from L-carnitine, a nutrient abundant in red meat. Gut microbial transformation of L-carnitine into trimethylamine (TMA), the precursor of TMAO, occurs via the intermediate γ-butyrobetaine (γBB). However, the interrelationship of γBB, red meat ingestion and CVD risks, as well as the gut microbial genes responsible for the transformation of γBB to TMA, are unclear. In the present study, we show that plasma γBB levels in individuals from a clin. cohort (n = 2,918) are strongly associated with incident CVD event risks. Culture of human faecal samples and microbial transplantation studies in gnotobiotic mice with defined synthetic communities showed that the introduction of Emergencia timonensis, a human gut microbe that can metabolize γBB into TMA, is sufficient to complete the carnitine → γBB → TMA transformation, elevate TMAO levels and enhance thrombosis potential in recipients after arterial injury. RNA-sequencing analyses of E. timonensis identified a six-gene cluster, herein named the γBB utilization (gbu) gene cluster, which is upregulated in response to γBB. Combinatorial cloning and functional studies identified four genes (gbuA, gbuB, gbuC and gbuE) that are necessary and sufficient to recapitulate the conversion of γBB to TMA when coexpressed in Escherichia coli. Finally, reanal. of samples (n = 113) from a clin., randomized diet, intervention study showed that the abundance of faecal gbuA correlates with plasma TMAO and a red meat-rich diet. Our findings reveal a microbial gene cluster that is critical to dietary carnitine → γBB → TMA → TMAO transformation in hosts and contributes to CVD risk.

Nature Microbiology published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Related Products of chlorides-buliding-blocks.

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

Eidam, Oliv published the artcileFragment-guided design of subnanomolar β-lactamase inhibitors active in vivo, Application of 2-Chloro-4-cyanobenzene-1-sulfonyl chloride, the publication is Proceedings of the National Academy of Sciences of the United States of America (2012), 109(43), 17448-17453, S17448/1-S17448/39, database is CAplus and MEDLINE.

Fragment-based design was used to guide derivatization of a lead series of β-lactamase inhibitors that had heretofore resisted optimization for in vivo activity. X-ray structures of fragments overlaid with the lead suggested new, unanticipated functionality and points of attachment. Synthesis of three derivatives improved affinity over 20-fold and improved efficacy in cell culture. Crystal structures were consistent with the fragment-based design, enabling further optimization to a K_i of 50 pM, a 500-fold improvement that required the synthesis of only six derivatives One of these, compound 5, was tested in mice. Whereas cefotaxime alone failed to cure mice infected with β-lactamase-expressing Escherichia coli, 65% were cleared of infection when treated with a cefotaxime:5 combination. Fragment complexes offer a path around design hurdles, even for advanced mols.; the series described here may provide leads to overcome β-lactamase-based resistance, a key clin. challenge.

Proceedings of the National Academy of Sciences of the United States of America published new progress about 254749-11-6. 254749-11-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Benzene, name is 2-Chloro-4-cyanobenzene-1-sulfonyl chloride, and the molecular formula is C7H3Cl2NO2S, Application of 2-Chloro-4-cyanobenzene-1-sulfonyl chloride.

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

Vicentini, Chiara Beatrice published the artcilePyrazolo[3,4-c]isothiazole and isothiazolo[4,3-d]isoxazole derivatives as antifungal agents, Application In Synthesis of 1869-22-3, the publication is Pharmaceutical Biology (London, United Kingdom) (2011), 49(5), 545-552, database is CAplus and MEDLINE.

Fungal diseases due to zoopathogenic fungi and phytopathogenic fungi are increasing and among the substances used to combat fungi, azoles are of primary interest, both in agricultural fields and health and to void fungal resistance phenomena, the synthesis and tests of new derivatives are necessary. This article discusses the preparation and antifungal activity of pyrazolo[3,4-c]isothiazole and isothiazolo[4,3-d]isoxazole derivatives against three pathogenic fungi for plants and two opportunistic fungi in humans and plants. The synthesis of the target compounds [i.e., 6-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-6H-pyrazolo[3,4-c]isothiazol-3-amine, 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-6H-pyrazolo[3,4-c]isothiazol-3-amine] was achieved using 2-cyano-3-ethoxy-2-butenethioamide as a starting material. The title compounds were evaluated against Magnaporthe grisea (phytopathogenic fungi), Pythium ultimum, Sclerotinia minor, Fusarium moniliforme (opportunistic strain ATCC 36541) and Trichoderma viride (opportunistic strain) and it was discovered that the fungi were sensitive toward the different azole-derivatives In general Magnaporthe grisea (T.T. Hebert Yaegashi & Udagawa) was the most sensitive fungus, being blocked almost entirely by a 4-chlorophenyl derivative [6-(4-chlorophenyl)-4-methyl-6H-pyrazolo[3,4-c]isothiazol-3-amine] even at 20 μμg/mL, a concentration at which the reference com. compound Tricyclazole was nearly ineffective. These findings demonstrate that the pyrazolo[3,4-c]isothiazole derivatives have a wide spectrum of activity on phytopathogenic and opportunistic fungi. In particular the 4-chloro derivative seems to have a great potential as new product to combat M. grisea in the agricultural field.

Pharmaceutical Biology (London, United Kingdom) published new progress about 1869-22-3. 1869-22-3 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Hydrazine,Amine,Benzene, name is 1-(2-Chloro-5-(trifluoromethyl)phenyl)hydrazine, and the molecular formula is C10H11NO4, Application In Synthesis of 1869-22-3.

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

Rueger, Carla published the artcileNew derivatives of 5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-ones with anticholinergic activity, Safety of 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid, the publication is Pharmazie (1990), 45(8), 555-9, database is CAplus.

Condensation of 4,2-R(O₂N)C₆H₃Cl (R = H, Cl) with 2-H₂NC₆H₄CO₂H gave 2-[4,2-R(O₂N)C₆H₃NH]C₆H₄CO₂H (same R). The reduction of the latter gave 2-[4,2-R(H₂N)C₆H₃NH]C₆H₄CO₂H which upon cyclocondensation gave 5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one and its 8-chloro derivative The latter products were acylated or methylated and acylated to give 5-acyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-ones I (R = H, Cl; R¹ = H, Me; R² = Cl, CH₂Cl, etc.); the I thus obtained were aminated to give I [R = H, Cl; R¹ = H, Me; R² = N(CH₂CH₂OH)₂, NMe(CH₂CH₂OH), etc.] (II). The ulcer-inhibiting activity of II was postulated; II (R = Cl; R¹ = H; R² = N(CH₂CH₂)H)].HCl, i.e. AWD 26-06, is selected for clin. evaluation (no data). II thus prepared differ from other tricyclic psychopharmaceuticals in their lipid solubility and hence have no effect as central nervous system agents.

Pharmazie published new progress about 60091-87-4. 60091-87-4 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitro Compound,Carboxylic acid,Amine,Benzene, name is 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid, and the molecular formula is C13H9ClN2O4, Safety of 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid.

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

Ruiz Montoya, M. published the artcileA Contribution to the Elucidation of the Reduction Mechanism of 2-Chloroisonicotinic Acid on Mercury Electrodes, Recommanded Product: 2-Chloroisonicotinic acid, the publication is Journal of the Electrochemical Society (2008), 155(8), F190-F195, database is CAplus.

This paper presents polarog. (d.c. and differential pulse) and voltammetric (linear-sweep cyclic voltammetric) studies of the electroreduction of 2-chloroisonicotinic acid (2-chloro-4-pyridinecarboxylic acid), 2-CISO, at Hg electrodes. The dissociation constants of 2-CISO were obtained from the UV-visible absorption spectra (pK of 0.5 ± 0.03 corresponding to the -COOH group) and by potentiometric titration (pK of 3.46 corresponding to the protonation-dissociation of the heterocyclic N). The electrochem. studies were performed in the acidity range 2.7M H₂SO₄ to pH 7. Above the last pH value no signals were observed The overall reduction process involves the uptake of 4 electrons. Kinetics parameters such as Tafel slopes and electrochem. reaction orders were determined at potentials corresponding to the foot of the waves. A reaction mechanism can be proposed, consisting of an electrochem.-chem. process having 2 reversible electron transfers preceding a chem. step. At the scan rates used in cyclic voltammetry, the rate-determining step is the 2nd irreversible electron transfer. At pH°0.5 the recombination of the carboxylate anion with the H⁺ ion takes place prior to the reduction process.

Journal of the Electrochemical Society published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Recommanded Product: 2-Chloroisonicotinic acid.

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

Pijper, Thomas C. published the artcileMild Ti-mediated transformation of t-butyl thio-ethers into thio-acetates, Category: chlorides-buliding-blocks, the publication is Organic & Biomolecular Chemistry (2015), 13(1), 265-268, database is CAplus and MEDLINE.

The authors report a straightforward method for the rapid conversion of thio-ethers to thio-acetates using TiCl₄, in good to excellent yields. The reaction conditions tolerate a variety of functional groups, including halide, nitro, ether, thiophene and acetylene functionalities. A catalytic variant of this reaction is also described.

Organic & Biomolecular Chemistry published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Category: chlorides-buliding-blocks.

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

Rode, Milind A. published the artcileSynthesis and biological activities of some indoline derivatives, Category: chlorides-buliding-blocks, the publication is Journal of the Serbian Chemical Society (2009), 74(12), 1377-1387, database is CAplus.

The reaction of indoline with a substituted benzoyl chloride in the presence of K₂CO₃ in THF gave 1-aroyl-2,3-dihydro-1H-indole I. The latter was subjected to chlorosulfonation in position 5. Condensation of the latter with aromatic amines led 1-aroyl-2,3-dihydro-1H-indole-5-sulfonamides. Similarly, 5-nitroindoline was treated with a substituted benzoyl chloride to obtain the nitro compound II, which was reduced using stannous chloride and reacted further with aromatic sulfonyl chloride to obtain the N-[1-aroyl-2,3-dihydro-1H-indol-5-yl]sulfonamides. These compounds were tested for antibacterial, tuberculostatic, and antifungal activity. Some of them showed very good activity against some gram-pos. and gram neg. bacteria, fungal strains, and also Mycobacterium tuberculosis. All of the synthesized compounds were subjected to antioxidant activity testing using the in vitro DPPH assay, and most of them showed very good activity.

Journal of the Serbian Chemical Society published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, Category: chlorides-buliding-blocks.

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

Neyt, N. C. published the artcileBatch-flow hybrid synthesis of the antipsychotic clozapine, Name: 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid, the publication is Reaction Chemistry & Engineering (2018), 3(1), 17-24, database is CAplus.

The implementation of an on-the-fly purification by trituration which was also utilized to perform solvent swaps. This above concept demonstrated through the synthesis of the antipsychotic clozapine. In addition, reported a novel means of performing a reduction of an aryl nitro group under flow conditions and an overall improved process route for the total synthesis of clozapine.

Reaction Chemistry & Engineering published new progress about 60091-87-4. 60091-87-4 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitro Compound,Carboxylic acid,Amine,Benzene, name is 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid, and the molecular formula is C13H9ClN2O4, Name: 2-((4-Chloro-2-nitrophenyl)amino)benzoic acid.

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

Chen, Xingchen published the artcilePotent, multi-target serine protease inhibition achieved by a simplified β-sheet motif, Application In Synthesis of 42074-68-0, the publication is PLoS One (2019), 14(1), e0210842, database is CAplus and MEDLINE.

Engagement of an extended β-sheet is a common substrate/inhibitor interaction at the active site of serine proteases and is an important feature of Laskowski mechanism inhibitors that present a substrate-like loop to a target protease. This loop is cleaved but subsequently relegated forming a stable inhibitor/protease complex. Laskowski inhibitors are ubiquitous in nature and are used extensively in serine protease inhibitor design. However, most studies concentrate on introducing new sidechain interactions rather than the direct contributions of the substrate-like β-sheet to enzyme inhibition. Here we report the crystal structure of an simplified β-sheet inhibitory motif within the Sunflower Trypsin Inhibitor (SFTI) in complex with trypsin. We show that the intramol. hydrogen bond network of this SFTI variant (SFTI-TCTR) engages the inhibitor sidechains that would normally interact with a target protease, giving mainchain interactions a more prominent role in complex formation. Despite having reduced sidechain interactions, this SFTI variant is remarkably potent and inhibits a diverse range of serine proteases. Crystal structural anal. and mol. modeling of SFTI-TCTR complexes again indicates an interface dominated by β-sheet interactions, highlighting the importance of this motif and the adaptability of SFTI as a scaffold for inhibitor design.

PLoS One published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, Application In Synthesis of 42074-68-0.

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

Geer, B. W. published the artcileThe growth effects of carnitine, deoxycarnitine, and sulfocholine for Drosophila, Neurospora, and Saccharomyces, Related Products of chlorides-buliding-blocks, the publication is Growth (1965), 29(4), 405-13, database is CAplus.

The physiol. activities of choline (I) were studied in Saccharomyces carlsbergensis, a I-requiring strain of Neurospora crassa, and Drosophila melanogaster. The related compounds deoxycarnitine (II), carnitine (III), and sulfocholine (IV) were then substituted for dietary I. IV was more effective than I in inhibiting the growth response of S. carlsbergensis to inositol, was slightly less effective than I in promoting the growth of I-requiring N. crassa, and was ∼50% as effective as I in stimulating the growth of D. melanogaster larvae. II and III were ineffective in the Neurospora and Saccharomyces systems, but were nearly as effective as I in the Drosophila system. Thus, the Neurospora and Saccharomyces systems are fundamentally similar in their responses to the test compounds The ability to utilize dietary II and III effectively for growth in place of I apparently evolved within the insect order Diptera.

Growth published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Related Products of chlorides-buliding-blocks.

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