Month: October 2022

Sahin-Bolukbasi, Serap; Sahin, Neslihan; Tahir, Muhammad Nawaz; Arici, Cengiz; Cevik, Esranur; Gurbuz, Nevin; Ozdemir, Ismail; Cummings, Brian S. published the artcile< Novel N-heterocyclic carbene silver(I) complexes: Synthesis, structural characterization, and anticancer activity>, SDS of cas: 611-19-8, the main research area is preparation crystal structure silver heterocyclic carbene complex; anticancer activity silver heterocyclic carbene complex.

The authors synthesized four novel unsym. substituted NHC ligands (1a-d) and their Ag(I) complexes (2a-d). All new compounds were characterized using elemental anal., FTIR, 1H NMR, and 13C NMR spectroscopy and X-ray crystallog. The mol. structure of complex 2d was elucidated through single crystal X-ray diffraction analyses. Single crystal structural studies for complex 2d show that the benzene rings (C9-C14) and the central benzimidazole ring system make dihedral angles of 85.65(11)°. The Ag-Cl and Ag-C single bond lengths are 2.3553(7) and 2.096(2) Å, resp. The C-Ag-Cl bond angle is 168.27(7)°. Both salts and complexes were tested for their anti-cancer potential against three human cancer cell lines (DU-145, MCF-7, and MDA-MB-231) and non-cancer cells adipose from mouse (L-929) for 24 h, 48 h and 72 h using the MTT assays. However, the Ag(I)-NHC complexes (2a-d) showed a dose and time-dependent cytotoxic activity against all cell lines. MDA-MB-231 human breast carcinoma cells were the most sensitive to the Ag(I)-NHC complex displaying IC50 <1 μM all time points. Further, the IC50s for Ag(I)-NHC were higher in non-cancer cells, suggesting that complexes possessed noteworthy selectivity for human cancer cells. Inorganica Chimica Acta published new progress about Antitumor agents. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, SDS of cas: 611-19-8.

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

Shi, Jialin; Zhang, Lina; Sun, Nannan; Hu, Deng; Shen, Qun; Mao, Fang; Gao, Qiang; Wei, Wei published the artcile< Facile and Rapid Preparation of Ag@ZIF-8 for Carboxylation of Terminal Alkynes with CO2 in Mild Conditions>, Computed Properties of 3240-10-6, the main research area is silver zeolitic imidazolate framework carboxylation catalyst terminal alkyne; CO; MOF; ZIF; carboxylation; catalysis.

Metal-organic frameworks (MOFs) are promising hosts for catalytic active sites due to their adjustable porosity and framework chem. Strategies to improve synergistic effects between the installed sites and the parent MOF are highly desired. A facile and rapid method for the preparation of xAg@ZIF-8 materials was reported. The materials were systematically characterized and used as catalysts for carboxylation of terminal alkynes via direct insertion of CO2 to the C(sp)-H bond (CTACO2). The integrity of the ZIF-8 structure could be retained upon Ag loading, but short-range crystalline ordering was modified. Two types Ag species could be installed, namely, highly dispersed Ag(I) in the backbone (AgHD) and aggregated Ag(0) nanoparticles on the outer surface (AgNP). The AgNP sites are highly effective for the activation of terminal alkynes due to its high accessibility, while the AgHD-modified ZIF-8 framework worked as a CO2 reservoir with enhanced affinity. Combination of these factors translated to high activity in the CTACO2 process, the measured turnover frequency and time yield are among the highest among most heterogeneous catalysts.

ACS Applied Materials & Interfaces published new progress about Adsorption. 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Computed Properties of 3240-10-6.

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

Lumma, William C. Jr.; Hartman, Richard D.; Saari, Walfred S.; Engelhardt, Edward L.; Lotti, Victor J.; Stone, Clement A. published the artcile< Piperazinylquinoxalines with central serotoninmimetic activity>, Recommanded Product: 5-Chloroquinoxalin-2-ol, the main research area is serotoninmimetic piperazinylquinoxaline; serotoninin reuptake blocking quinoxaline; piperazinylquinoxaline; quinoxaline piperazinyl.

The piperazinylquinoxalines I (R = H, Ac, Me; R1 = H, OH (and the related ketone), CO2H; R2, R3 = H, Cl, NH2, CF3, SPh, OMe, F, etc.; m, n = 0, 1) were prepared by various methods. I were tested for selectivity in regards to serotonin reuptake blocking and serotoninmimetic activity. In general, introduction of a 6-substituent into I enhanced serotonin reuptake blocking activity and diminished serotoninmimetic activity. Unsubstituted I and I (R1 = OH) had primary serotoninmimetic activity.

Journal of Medicinal Chemistry published new progress about 55687-19-9. 55687-19-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H5ClN2O, Recommanded Product: 5-Chloroquinoxalin-2-ol.

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

Pasula, Chandra Sekhar; Tadakaluru, Yasodha Lakshmi; Sannidhi, Ranga Suresh; Pujari, Venkata Suresh Reddy; Chirumamilla, Venkata Satish Kumar; Yekkanti, Raja Ratna Reddy published the artcile< Comparative analysis of cyclophosphamide monohydrate clastogenicity and mutagenicity in healthy human lymphocytes and L5178Y TK+/- mouse lymphoma cells>, Computed Properties of 6055-19-2, the main research area is human lymphocyte lymphoma cell cyclophosphamide monohydrate clastogenicity mutagenicity.

The study was conducted to evaluate and compare the clastogenicity and mutagenicity of cyclophosphamide monohydrate in In vitro Mammalian Chromosome Aberration Test (CAT) using cultured healthy human whole blood lymphocytes and In vitro Cell Gene Mutation Assay (CGM) using L5178Y TK+/- mouse lymphoma cells as per OECD guidelines Number 473 & 476 resp., both in the presence (2%volume/volume) and absence of metabolic activation system. Cyclophosphamide monohydrate is mutagenic at the doses 1.95, 3.90, 7.81, 15.62 μg/mL in CGM and 15.62, 31.25, 62.5 μg/mL in CAT. Mutagenicity was observed only in the presence of metabolic activation system in both CGM and CAT. Cyclophosphamide monohydrates require metabolic activation for its mutagenicity in both the tests. A lower dose of cyclophosphamide monohydrate is mutagenic in CGM than CAT. Based on the pos. response of cyclophosphamide monohydrate in both Assays, colony sizing was performed in CGM, dose dependent increase in the small size colonies were observed Mutant cells that have suffered the most extensive genetic damage have prolonged doubling times and thus form small colonies. This damage typically ranges in scale from the losses of the entire gene to karyotypically visible chromosome aberrations. Small colony number data from CGM may provide clastogenicity details of test drug and provide the basis for the comparison, results correlation in CGM and CAT. Small colony number data of CGM may also provide the range of dose for CAT, before study conduct and provide scientific justification for step wise study selection to evaluate the genotoxicity of test drug.

World Journal of Pharmacy and Pharmaceutical Sciences published new progress about Chromosome aberrations. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Computed Properties of 6055-19-2.

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

Kirkland, David; Aardema, Marilyn; Henderson, Leigh; Mueller, Lutz published the artcile< Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens. I. Sensitivity, specificity and relative predictivity>, Electric Literature of 6055-19-2, the main research area is genotoxicity in vitro assay carcinogen noncarcinogen discrimination.

The performance of a battery of three of the most commonly used in vitro genotoxicity tests, i.e., Ames + mouse lymphoma assay (MLA) + in vitro micronucleus (MN) or chromosomal aberrations (CA) test, was evaluated for its ability to discriminate rodent carcinogens and non-carcinogens, from a large database of over 700 chems. compiled from the CPDB (“”Gold””), NTP, IARC and other publications. We re-evaluated many (113 MLA and 30 CA) previously published genotoxicity results in order to categories the performance of these assays using the response categories we established. The sensitivity of the three-test battery was high. Of the 553 carcinogens for which there were valid genotoxicity data, 93% of the rodent carcinogens evaluated in at least one assay gave pos. results in at least one of the three tests. Combinations of two and three test systems had greater sensitivity than individual tests resulting in sensitivities of around 90% or more, depending on test combination. Only 19 carcinogens (out of 206 tested in all three tests, considering CA and MN as alternatives) gave consistently neg. results in a full three-test battery. Most were either carcinogenic via a non-genotoxic mechanism (liver enzyme inducers, peroxisome proliferators, hormonal carcinogens) considered not necessarily relevant for humans, or were extremely weak (presumed) genotoxic carcinogens (e.g. N-nitrosodiphenylamine). Two carcinogens (5-chloro-o-toluidine, 1,1,2,2-tetrachloroethane) may have a genotoxic element to their carcinogenicity and may have been expected to produce pos. results somewhere in the battery. We identified 183 chems. that were non-carcinogenic after testing in both male and female rats and mice. There were genotoxicity data on 177 of these. The specificity of the Ames test was reasonable (73.9%), but all mammalian cell tests had very low specificity (i.e. below 45%), and this declined to extremely low levels in combinations of two and three test systems. When all three tests were performed, 75-95% of non-carcinogens gave pos. (i.e. false pos.) results in at least one test in the battery. The extremely low specificity highlights the importance of understanding the mechanism by which genotoxicity may be induced (whether it is relevant for the whole animal or human) and using weight of evidence approaches to assess the carcinogenic risk from a pos. genotoxicity signal. It also highlights deficiencies in the current prediction from and understanding of such in vitro results for the in vivo situation. It may even signal the need for either a reassessment of the conditions and criteria for pos. results (cytotoxicity, solubility, etc.) or the development and use of a completely new set of in vitro tests (e.g. mutation in transgenic cell lines, systems with inherent metabolic activity avoiding the use of S9, measurement of genetic changes in more cancer-relevant genes or hotspots of genes, etc.). It was very difficult to assess the performance of the in vitro MN test, particularly in combination with other assays, because the published database for this assay is relatively small at this time. The specificity values for the in vitro MN assay may improve if data from a larger proportion of the known non-carcinogens becomes available, and a larger published database of results with the MN assay is urgently needed if this test is to be appreciated for regulatory use. However, specificity levels of <50% will still be unacceptable. Despite these issues, by adopting a relative predictivity (RP) measure (ratio of real:false results), it was possible to establish that pos. results in all three tests indicate the chem. is greater than three times more likely to be a rodent carcinogen than a non-carcinogen. Likewise, neg. results in all three tests indicate the chem. is greater than two times more likely to be a rodent non-carcinogen than a carcinogen. This RP measure is considered a useful tool for industry to assess the likelihood of a chem. possessing carcinogenic potential from batteries of pos. or neg. results. Mutation Research, Genetic Toxicology and Environmental Mutagenesis published new progress about Aflatoxins Role: ADV (Adverse Effect, Including Toxicity), BIOL (Biological Study) (crude). 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Electric Literature of 6055-19-2.

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

Imanishi, Masashi; Tomishima, Yasuyo; Itou, Shinji; Hamashima, Hitoshi; Nakajima, Yutaka; Washizuka, Kenichi; Sakurai, Minoru; Matsui, Shigeo; Imamura, Emiko; Ueshima, Koji; Yamamoto, Takao; Yamamoto, Nobuhiro; Ishikawa, Hirofumi; Nakano, Keiko; Unami, Naoko; Hamada, Kaori; Matsumura, Yasuhiro; Takamura, Fujiko; Hattori, Kouji published the artcile< Discovery of a Novel Series of Biphenyl Benzoic Acid Derivatives as Potent and Selective Human β3-Adrenergic Receptor Agonists with Good Oral Bioavailability. Part I>, Synthetic Route of 603122-80-1, the main research area is biphenyl benzoic acid derivative preparation beta adrenergic receptor agonist.

A novel class of biphenyl analogs containing a benzoic acid moiety based on lead compound I have been identified as potent and selective human β3 adrenergic receptor (β3-AR) agonists with good oral bioavailability and long plasma half-life. After further substituent effects were investigated at the terminal Ph ring of lead compound I, it has been discovered that more lipophilic substitution at the R position improved potency and selectivity. As a result of these studies, II and III were identified as the leading candidates with the best balance of potency, selectivity, and pharmacokinetic profiles. In addition, compounds II and III were evaluated to be efficacious for a carbachol-induced increase of intravesical pressure, such as an overactive bladder model in anesthetized dogs. This represents the first demonstrated result dealing with β3-AR agonists.

Journal of Medicinal Chemistry published new progress about Homo sapiens. 603122-80-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BClO4, Synthetic Route of 603122-80-1.

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

Jiang, Xiu-Juan; Tang, Hao; Li, Xiao-Yuan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W. published the artcile< Two new isomerous fluorescent chemosensors for Al3+ based on photoinduced electron transfer>, Related Products of 118-45-6, the main research area is isomer fluorescent chemosensor aluminum photoinduced electron transfer; Al(3+); Fluorescent chemosensors; Isomerous; PET.

Two new isomerous PET fluorescent chemosensors (L and L’) for Al3+ were designed, synthesized and characterized. The two chemosensors exhibited fluorescence enhancement upon binding Al3+ in CH3CN by PET inhibition processes from both the sulfur and the nitrogen donors to anthracene. The job’s plot, Benesi-Hildebrand plot and 1H NMR titration experiments indicate that both chemosensors form a 1:1 complex with Al3+. The binding constants are (1.432 ± 0.186) × 105 and (1.427 ± 0.970) × 105, resp. Also, the lowest detection limit for Al3+ in CH3CN is 4.8 × 10-7 M and 2.2 × 10-7 M, resp.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Crystal structure. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Related Products of 118-45-6.

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

Qiu, Jianhao; Li, Ming; Xu, Jie; Zhang, Xiong-Fei; Yao, Jianfeng published the artcile< Bismuth sulfide bridged hierarchical Bi2S3/BiOCl@ZnIn2S4 for efficient photocatalytic Cr(VI) reduction>, Product Details of Cl3H8InO4, the main research area is epitaxial heterostructure photocatalyst photocatalytic reduction wastewater treatment; Bi(2)S(3)/BiOCl@ZnIn(2)S(4); Epitaxial heterostructure; Intimate junction; Photocatalysis.

Delicate construction based on 2D epitaxial heterostructure can be an effective route to adequately excavate and utilize its superiorities. Here, a core-shell Bi2S3/BiOCl@ZnIn2S4 hierarchical heterostructure is rationally designed and built by Bi2S3 epitaxial growth on two-dimensional template-like BiOCl and ZnIn2S4 nanosheets in-situ growth. The epitaxial growth of Bi2S3 on BiOCl endows the tight contact between them. More importantly, Bi2S3 as the interlayer could offer an extra intimate junction to ZnIn2S4 due to the chem. interaction of S2- between Bi2S3 and ZnIn2S4. Such a Bi2S3/BiOCl@ZnIn2S4 composite was explored for visible-light-driven reduction of Cr(VI), and much satisfactory performance was achieved, which is about 3.3 and 24.1-fold increase compared to that of ZnIn2S4 and Bi2S3/BiOCl resp. Efficient generation, separation and transfer of photo-generated charge carriers inherited from this ternary hierarchical composite made significant contributions to the highly elevated photocatalytic activity. This work may stimulate the construction of multiple hierarchical composites based on 2D epitaxial heterostructure material for efficient photocatalysis or other optoelectronics.

Journal of Hazardous Materials published new progress about Photocatalysts. 22519-64-8 belongs to class chlorides-buliding-blocks, and the molecular formula is Cl3H8InO4, Product Details of Cl3H8InO4.

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

Zhang, Haikun; Xie, Shunji; Hu, Jinyuan; Wu, Xuejiao; Zhang, Qinghong; Cheng, Jun; Wang, Ye published the artcile< C-H activations of methanol and ethanol and C-C couplings into diols by zinc-indium-sulfide under visible light>, HPLC of Formula: 22519-64-8, the main research area is cobalt phosphide indium zinc sulfide catalyst dehydrogenative coupling ethanol; methanol ethylene glycol cobalt phosphide indium zinc sulfide catalyst.

An environmentally friendly CoP/Zn2In2S5 catalyst is reported as a visible-light photocatalyst for the selective activation of the α-C-H bond of methanol to generate ethylene glycol with a selectivity of as high as 90%. The catalytic system also illustrates the first example of visible-light-driven dehydrogenative coupling of ethanol to 2,3-butanediol.

Chemical Communications (Cambridge, United Kingdom) published new progress about Band gap. 22519-64-8 belongs to class chlorides-buliding-blocks, and the molecular formula is Cl3H8InO4, HPLC of Formula: 22519-64-8.

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

Zhou, Yin; Gao, Cheng-Feng; Ma, Hai; Nie, Jing; Ma, Jun-An; Zhang, Fa-Guang published the artcile< Quadruple Functionalized Pyrazole Pharmacophores by One-pot Regioselective [3+2] Cycloaddition of Fluorinated Nitrile Imines and Dicyanoalkenes>, HPLC of Formula: 17082-09-6, the main research area is difluoromethyl aryl hydrazonyl chloride dicyanialkene regioselective cycloaddition cyclooxygenase inhibition; aryl difluoromethyl cyanopyrazole preparation; trifluroromethylaryl hydrazonyl chloride dicyanialkene regioselective cycloaddition cyclooxygenase inhibition; trifluoromethyl aryl cyanopyrazole preparation; COX-2 inhibitors; cycloaddition; di/trifluoromethyl group; pharmacophores; pyrazoles.

A quadruple functionalization approach for the modular construction of fully substituted N1-aryl 3-di/trifluoro-methyl-4/5-cyanopyrazole pharmacophores from readily available hydrazonyl chlorides and dicyanoalkenes was presented. The realization of this [3+2] cycloaddition reaction hinges upon the employment of N-aryl di/trifluoromethyl nitrile imines as the 1,3-dipoles to bypass external synthetic steps and dicyanoalkenes as the dipolarophiles to tune the regioselectivity. This one-pot strategy offered access to a divergent library of cyano analogs of prevalent 3-di/trifluoromethyl pyrazole pharmacophores, among which several compounds have shown potent inhibitory activity towards cyclooxygenase 2 (COX-2) compared with marketed drug Celecoxib.

Chemistry – An Asian Journal published new progress about [3+2] Cycloaddition reaction (regioselective). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, HPLC of Formula: 17082-09-6.

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