Month: November 2022

Pujala, Brahmam published the artcileDiscovery of Pyrazolopyrimidine Derivatives as Novel Dual Inhibitors of BTK and PI3Kδ, COA of Formula: C12H16BClO3, the publication is ACS Medicinal Chemistry Letters (2016), 7(12), 1161-1166, database is CAplus and MEDLINE.

The aberrant activation of B-cells has been implicated in several types of cancers and hematol. disorders. BTK and PI3Kδ are kinases responsible for B-cell signal transduction, and inhibitors of these enzymes have demonstrated clin. benefit in certain types of lymphoma. Simultaneous inhibition of these pathways could result in more robust responses or overcome resistance as observed in single agent use. The authors report a series of novel compounds that have low nanomolar potency against both BTK and PI3Kδ as well as acceptable PK properties that could be useful in the development of treatments against B-cell related diseases.

ACS Medicinal Chemistry Letters published new progress about 960388-56-1. 960388-56-1 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Phenol,Boronate Esters,Boronic Acids,Boronic acid and ester,Boronate Esters, name is 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, and the molecular formula is C12H16BClO3, COA of Formula: C12H16BClO3.

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

Babii, Oleg published the artcileDirect Photocontrol of Peptidomimetics: An Alternative to Oxygen-Dependent Photodynamic Cancer Therapy, Computed Properties of 219537-97-0, the publication is Angewandte Chemie, International Edition (2016), 55(18), 5493-5496, database is CAplus and MEDLINE.

Conventional photodynamic treatment strategies are based on the principle of activating mol. oxygen in situ by light, mediated by a photosensitizer, which leads to the generation of reactive oxygen species and thereby causes cell death. A diarylethene-derived peptidomimetic is presented that is suitable for photodynamic cancer therapy without any involvement of oxygen. This light-sensitive mol. is not a mediator but is itself the cytotoxic agent. As a derivative of the cyclic amphiphilic peptide gramicidin S, the peptidomimetic exists in two thermally stable photoforms that are interconvertible by light of different wavelengths. The isomer generated by visible light shows much stronger toxicity against tumor cells than the UV-generated isomer. First in vivo applications are demonstrated on a tumor animal model to illustrate how the peptidomimetic can be administered in the less toxic form and then activated locally in a solid tumor by visible light.

Angewandte Chemie, International Edition 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, Computed Properties of 219537-97-0.

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

Alepee, N. published the artcileMulti-laboratory evaluation of SkinEthic HCE test method for testing serious eye damage/eye irritation using solid chemicals and overall performance of the test method with regard to solid and liquid chemicals testing, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Toxicology In Vitro (2016), 55-70, database is CAplus and MEDLINE.

A prospective multicentre study of the reconstructed human corneal epithelial tissue-based in vitro test method (SkinEthic HCE) was conducted to evaluate its usefulness to identify chems. as either not classified for serious eye damage/eye irritation (No Cat.) or as classified (Cat. 1/Cat. 2) within UN GHS. The aim of this study was to demonstrate the transferability and reproducibility of the SkinEthic HCE EITS protocol for solids and define its predictive capacity. Briefly, 60 chems. were three times tested (double blinded) in 3 laboratories and 35 addnl. chems. were tested three times in one laboratory Good within laboratory reproducibility was achieved of at least 95% (57/60) and 96.8% (92/95) for the extended data set. Furthermore, the overall concordance between the laboratories was 96.7% (58/60). The accuracy of the SkinEthic HCE EITS for the extended dataset, based on bootstrap resampling, was 81.0% (95% CI: 78.9% to 83.2%) with a sensitivity of 90.5% (95% CI: 88.1% to 92.9%) and specificity of 73.6% (95% CI: 71.7% to 75.5%). Overall, 200 chems. were tested (105 liquids (EITL protocol) and 95 solids (EITS protocol)) resulting in a sensitivity of 95.2%, specificity of 72.1% and accuracy of 83.7%, thereby meeting all acceptance criteria for predictive capacity.

Toxicology In Vitro 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, Name: 3-Chloro-4-fluoronitrobenzene.

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

Oyagbemi, Ademola Adetokunbo published the artcileClofibrate, a Peroxisome Proliferator-Activated Receptor-Alpha (PPARα) Agonist, and Its Molecular Mechanisms of Action against Sodium Fluoride-Induced Toxicity, Related Products of chlorides-buliding-blocks, the publication is Biological Trace Element Research (2022), 200(3), 1220-1236, database is CAplus and MEDLINE.

Sodium fluoride (NaF) is one of the neglected environmental pollutants. It is ubiquitously found in the soil, water, and environment. Interestingly, fluoride has been extensively utilized for prevention of dental caries and tartar formation, and may be added to mouthwash, mouth rinse, and toothpastes. This study is aimed at mitigating fluoride-induced hypertension and nephrotoxicity with clofibrate, a peroxisome proliferator-activated receptor-alpha (PPARα) agonist. For this study, forty male Wistar rats were used and randomly grouped into ten rats per group, control, sodium fluoride (NaF; 300 ppm) only, NaF plus clofibrate (250 mg/kg) and NaF plus lisinopril (10 mg/kg), resp., for 7 days. The administration of NaF was by drinking water ad libitum, while clofibrate and lisinopril were administered by oral gavage. Administration of NaF induced hypertension, and was accompanied with exaggerated oxidative stress; depletion of antioxidant defense system; reduced nitric oxide production; increased systolic, diastolic and mean arterial pressure; activation of angiotensin-converting enzyme activity and nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB); and testicular apoptosis. Treatment of rats with clofibrate reduced oxidative stress, improved antioxidant status, lowered high blood pressure through the inhibition of angiotensin-converting enzyme activity, mineralocorticoid receptor over-activation, and abrogated testicular apoptosis. Taken together, clofibrate could offer exceptional therapeutic benefit in mitigating toxicity associated with sodium fluoride.

Biological Trace Element Research published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Related Products of chlorides-buliding-blocks.

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

Oyagbemi, Ademola A. published the artcileClofibrate, a PPAR-α agonist, abrogates sodium fluoride-induced neuroinflammation, oxidative stress, and motor incoordination via modulation of GFAP/Iba-1/anti-calbindin signaling pathways, Category: chlorides-buliding-blocks, the publication is Environmental Toxicology (2020), 35(2), 242-253, database is CAplus and MEDLINE.

Fluoride is an environmental contaminant that is ubiquitously present in air, water, and soil. It is commonly added in minute quantity to drinking water, toothpaste, and mouth rinses to prevent tooth decay. Epidemiol. findings have demonstrated that exposure to fluoride induced neurodevelopmental toxicity, developmental neurotoxicity, and motor disorders. The neuroprotective effect of clofibrate, a peroxisome proliferator-activated receptor alpha agonist, was investigated in the present study. Forty male Wistar rats were used for this study and randomly grouped into 10 rats per group as control, sodium fluoride (NaF) alone (300 ppm), NaF plus clofibrate (250 mg/kg), and NaF plus lisinopril (10 mg/kg), resp., for 7 days. NaF was administered in drinking water while clofibrate and lisinopril were administered by oral gavage. Markers of neuronal inflammation and oxidative stress, acetylcholinesterase activity, and neurobehavioral (hanging wire and open field) tests were performed. Immunohistochem. was performed on brain tissues, and they were probed with glial fibrillary acidic protein, ionized calcium-binding adaptor mol. 1, and cerebellar Ca²⁺-binding protein calbindin-D28k. The results showed that NaF significantly increased of oxidative stress and neuroinflammation and inhibited AChE activity. Immunostaining showed reactive astrocytes, microgliosis, loss of dendritic spines, and arborization in Purkinje cells in rats administered only NaF. Neurobehavioral results showed that cotreatment of NaF with clofibrate improved muscular strength and locomotion, reduced anxiety, and significantly reduced astrocytic count. Overall, cotreatment of NaF with either clofibrate or lisinopril showed neuroprotective effects by mitigating neuronal inflammation and oxidative and motor incoordination. Hence, clofibrate could be seen as a novel drug candidate against neurodegeneration and motor disorders.

Environmental Toxicology published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Category: chlorides-buliding-blocks.

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

Sandham, David A. published the artcile7-Azaindole-3-acetic acid derivatives: Potent and selective CRTh2 receptor antagonists, COA of Formula: C7H3Cl2F3O2S, the publication is Bioorganic & Medicinal Chemistry Letters (2009), 19(16), 4794-4798, database is CAplus and MEDLINE.

High throughput screening identified a 7-azaindole-3-acetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimized to furnish a highly selective compound with good functional potency for inhibition of human eosinophil shape change in whole blood and oral bioavailability in the rat.

Bioorganic & Medicinal Chemistry Letters published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, COA of Formula: C7H3Cl2F3O2S.

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

Krasil’nikov, A. P. published the artcileResistance of Staphylococcus aureus clinical strains to antiseptics, HPLC of Formula: 38146-42-8, the publication is Zhurnal Mikrobiologii, Epidemiologii i Immunobiologii (1989), 30-6, database is CAplus and MEDLINE.

To evaluate the activity of antiseptics and the sensitivity or resistance of bacteria to antiseptics, a number of characteristics has been used, including the min. inhibiting concentration for different strains, the frequency of statistical and clin. resistance, and the antiseptic activity index. A wide spread of S. aureus strains isolated from patients with hospital infections has been revealed. Differences in the resistance of bacterial strains was observed, depending on the type of the antiseptic and the ecovar of bacteria: among hospital ecovars, resistant strains occur more frequently and can resist a wider range of antibiotics. In staphylococcal hospital ecovars the occurrence and level of resistance to a number of widely used antiseptics increase with time. Due to a wide spread of staphylococcal hospital strains resistant to antiseptics, measures on the control of the circulation of such strains should be introduced into hospitals, and the data thus should be used for the periodic evaluation of antiseptics used in medical practice and for the choice of preparations to be used for individual therapeutic and prophylactic antisepsis.

Zhurnal Mikrobiologii, Epidemiologii i Immunobiologii published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, HPLC of Formula: 38146-42-8.

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

Tenthorey, Paul A. published the artcileNew antiarrhythmic agents. 7. 2,3-Diaminopropionanilides, Related Products of chlorides-buliding-blocks, the publication is Journal of Medicinal Chemistry (1981), 24(9), 1059-63, database is CAplus and MEDLINE.

Ten 2,3-diaminopropionanilides I (R and R¹ = Me, Et, Pr, etc.; R²,R³,R⁴, and R⁵ = H, OMe, OEt, etc.) were synthesized by acylation of mono- and disubstituted aniline derivatives with 2,3-dibromopropionyl chloride [18791-02-1] and subsequent amination with the appropriate secondary amines. I were evaluated in mice for antiarrhythmic efficacy against chloroform-induced tachycardia and for central nervous system toxicity. Several of the active agents had much higher antiarrhythmic potencies than lidocaine, but they were also toxic. Evaluation of the target compounds for local anesthetic activity in the form of sciatic nerve block in rats showed that most compounds had durations of block similar to that of lidocaine; none exhibited the long duration of block seen with etidocaine.

Journal of Medicinal Chemistry published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C13H10N2S, Related Products of chlorides-buliding-blocks.

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

Ma, C. Derek published the artcileLiquid Crystal Interfaces Programmed with Enzyme-Responsive Polymers and Surfactants, Application of 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, the publication is Small (2015), 11(43), 5747-5751, database is CAplus and MEDLINE.

General strategies that permit amplification and transduction of mol. recognition events over multiple length scales are of tremendous interest for a range of applications, including advanced sensor design and responsive smart materials. Liquid crystals (LCs) provide an exciting opportunity in this regard as the supramol. organization of mesogens within LC phases can be dynamically coupled to nanoscopic and mol.-scale interfacial events such that the LC generates a detectable optical signal on the micrometer length scale. While a number of examples of LC ordering transitions triggered by biomol. events do exist, rational design of such systems is not yet possible. As a first step toward establishing generalizable design strategies for signal propagation in nanoscale and microscale responsive materials, herein we report the synthesis and interfacial characterization of biol. active peptide-polymer amphiphiles (PPAs) at the interfaces of LCs and demonstrate their use in triggering LC ordering transitions in LC microdroplets in response to targeted biomol. events.

Small 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, Application of 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride.

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

Bolli, Martin H. published the artcileNovel S1P₁ Receptor Agonists – Part 3: From Thiophenes to Pyridines, COA of Formula: C6H4ClNO2, the publication is Journal of Medicinal Chemistry (2014), 57(1), 110-130, database is CAplus and MEDLINE.

In preceding communications the authors summarized the authors’ medicinal chem. efforts leading to the identification of thiophene derivatives acting as potent, selective, and orally active S1P₁ agonists. As a continuation of these efforts, the authors replaced the thiophene by a 2-, 3-, or 4-pyridine and obtained less lipophilic, potent, and selective S1P₁ agonists (e.g., efficiently reducing blood lymphocyte count in the rat). Structural features influencing the compounds’ receptor affinity profile and pharmacokinetics are discussed. In addition, the ability to penetrate brain tissue has been studied for several compounds As a typical example for these pyridine based S1P₁ agonists, N-((S)-3-{4-[5-(2-Diethylamino-6-methylpyridin4-yl)[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-2-hydroxypropyl)-2-hydroxyacetamide showed EC₅₀ values of 0.6 and 352 nM for the S1P₁ and S1P₃ receptor, resp., displayed favorable PK properties, and penetrated well into brain tissue. In the rat, N-((S)-3-{4-[5-(2-Diethylamino-6-methylpyridin4-yl)[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-2-hydroxypropyl)-2-hydroxyacetamide maximally reduced the blood lymphocyte count for at least 24 h after oral dosing of 3 mg/kg.

Journal of Medicinal Chemistry 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, COA of Formula: C6H4ClNO2.

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