Category: 6972-05-0

Aly, Ashraf A. published the artcileTetracyanoethene and 1-Amino-1,2,2-ethenetricarbonitrile in the Synthesis of Heterocycles of Prospective Antioxidant and Antibacterial, Computed Properties of 6972-05-0, the publication is Journal of Heterocyclic Chemistry (2016), 53(3), 963-969, database is CAplus.

Reaction of 1,1,2,2-ethenetetracarbonitrile (TCNE) with aroyl thioureas in dioxane catalyzed by few drops of piperidine, led to the corresponding 1,2,4-oxathiazoles. Under the same reaction condition, thiosemicarbazide or thiosemicarbazone reacted with either TCNE or 1-amino-1,2,2-ethene-tricarbonitrile. The structures of the products were elucidated via NMR, IR, mass spectra, and elemental analyses. The mechanism of formation was discussed. Biol. (against Gram-pos. and Gram-neg. bacteria) and antioxidant activities were tested. Some of these heterocyclic compounds showed high activity as antioxidant and antibacterial compounds The structure-activity relationship was investigated.

Journal of Heterocyclic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Computed Properties of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Steinmetz, Fabian P. published the artcileMethods for assigning confidence to toxicity data with multiple values – Identifying experimental outliers, Category: catalysis-chemistry, the publication is Science of the Total Environment (2014), 358-365, database is CAplus and MEDLINE.

The assessment of data quality is a crucial element in many disciplines such as predictive toxicol. and risk assessment. Currently, the reliability of toxicity data is assessed on the basis of testing information alone (adherence to Good Laboratory Practice (GLP), detailed testing protocols, etc.). Common practice is to take one toxicity data point per compound – usually the one with the apparently highest reliability. All other toxicity data points (for the same experiment and compound) from other sources are neglected. To show the benefits of incorporating the “less reliable” data, a simple, independent, statistical approach to assess data quality and reliability on a math. basis was developed. A large data set of toxicity values to Aliivibrio fischeri was assessed. The data set contained 1813 data points for 1227 different compounds, including 203 identified as non-polar narcotic. Log K_OW values were calculated and non-polar narcosis quant. structure-activity relationship (QSAR) models were built. A statistical approach to data quality assessment, which is based on data outlier omission and confidence scoring, improved the linear QSARs. The results indicate that a beneficial method for using large data sets containing multiple data values per compound and highly variable study data has been developed. Furthermore this statistical approach can help to develop novel QSARs and support risk assessment by obtaining more reliable values for biol. endpoints.

Science of the Total Environment published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C2H2N4O2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Goldberg, Frederick W. published the artcileOptimization of Brain Penetrant 11¦Â-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet-Induced Obese Mice, Formula: C3H8N2S, the publication is Journal of Medicinal Chemistry (2014), 57(3), 970-986, database is CAplus and MEDLINE.

11¦Â-Hydroxysteroid dehydrogenase type 1 (11¦Â-HSD1) has been widely considered by the pharmaceutical industry as a target to treat metabolic syndrome in type II diabetics. We hypothesized that central nervous system (CNS) penetration might be required to see efficacy. Starting from a previously reported pyrimidine compound, we removed hydrogen-bond donors to yield I, which had modest CNS penetration. More significant progress was achieved by changing the core to give II, which combines good potency and CNS penetration. Compound II was dosed to diet-induced obese (DIO) mice and gave excellent target engagement in the liver and high free exposures of drug, both peripherally and in the CNS. However, no body weight reduction or effects on glucose or insulin were observed in this model. Similar data were obtained with a structurally diverse thiazole compound III. This work casts doubt on the hypothesis that localized tissue modulation of 11¦Â-HSD1 activity alleviates metabolic syndrome.

Journal of Medicinal Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Formula: C3H8N2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Dreyer, R. published the artcileSynthesis and characterization of cationic astatine compounds with sulfur-containing ligands stable in aqueous solutions, Synthetic Route of 6972-05-0, the publication is Journal of Radioanalytical and Nuclear Chemistry (1985), 96(3), 333-41, database is CAplus.

The formation of cationic At compounds with thiourea, thiourea derivatives and some N-acylthioureas was studied in aqueous solutions The ion mobilities in free electrolytes were determined for the detection of carrier-free At compounds and their characterization. Information about the stability of this group of compounds could be given after studies in the presence of halide and pseudohalide ions (Cl^–, Br^–, I^–, SCN^–).

Journal of Radioanalytical and Nuclear Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Synthetic Route of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Culbertson, Townley P. published the artcileNew 7-substituted quinolone antibacterial agents. The synthesis of 1-ethyl-1,4-dihydro-4-oxo-7-(2-thiazolyl and 4-thiazolyl)-3-quinolinecarboxylic acids, Category: catalysis-chemistry, the publication is Journal of Heterocyclic Chemistry (1987), 24(6), 1509-20, database is CAplus.

A series of 1-ethyl-1,4-dihydro-4-oxo-7-(4-thiazolyl)-3-quinolinecarboxylic acids e.g. I (R = NH₂, MeNH, AcNCH₂, Me₂N, 3-pyridyl, morpholino, etc.; R¹,R² = H, F), and 1-ethyl-1,4-dihydro-4-oxo-7-(2-thiazolyl)-3-quinolinecarboxylic acids were prepared Also prepared was 10-[2-(aminomethyl)-4-thiazolyl]-9-fluoro-2,3-dihydro-3-methyl-7–oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid (II). Analogs with basic amine substituents on the thiazole moiety were found to have antibacterial activity.

Journal of Heterocyclic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Abbs Fen Reji, T. F. published the artcileSynthesis and cytotoxicity studies of thiazole analogs of the anticancer marine alkaloid dendrodoine, Category: catalysis-chemistry, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (2008), 47B(7), 1145-1150, database is CAplus.

The synthesis and cytotoxicity evaluation of 2-N,N-dimethylamino-5-indol-3-oylthiazole as the first member of a new portfolio of the thiazole analogs of the cytotoxic marine alkaloid dendrodoine (3-N,N-dimethylamino-5-indol-3-oyl-1,2,4-thiadiazole) is described. Exploiting the opportunity arising from the replacement of the thiadiazole ring of dendrodoine by a thiazole ring which allowed further substitution on the five-membered ring, 2-N,N-dimethylamino-5-indol-3-oyl-4-phenylthiazole has also been synthesized. Structural diversity is further extended by synthesizing 5-fur-2-oyl- and 5-coumarin-3-oyl-2-N,N-dimethylaminothiazoles, as well as 5-fur-2-oyl, 5-thiophen-2-oyl, 5-(1-methylbenzimidazol-2-oyl) and 5-benzothiazol-2-oyl derivatives of 2-N,N-dimethylamino-4-phenylthiazoles. Among these new N,N-dimethylaminothiazoles, 2-N,N-dimethylamino-5-indol-3-oyl-4-phenylthiazole shows significant in vitro cytotoxicity against a panel of human cancer cell lines.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Setti, Eduardo L. published the artcile3,4-Disubstituted azetidinones as selective inhibitors of the cysteine protease cathepsin K. Exploring P3 elements for potency and selectivity, Application In Synthesis of 6972-05-0, the publication is Bioorganic & Medicinal Chemistry Letters (2005), 15(5), 1529-1534, database is CAplus and MEDLINE.

The synthesis of a series of highly potent and selective inhibitors of cathepsin K based on the 3,4-disubstituted azetidin-2-one warhead is reported. A high degree of potency and selectivity was achieved by introducing a basic nitrogen into the distal part of the P3 element of the mol. Data from kinetic and mass spectrometry experiments are consistent with the interpretation that compounds of this series transiently acylate the sulfhydrile of cathepsin K.

Bioorganic & Medicinal Chemistry Letters published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C14H26O2, Application In Synthesis of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Hofmann, Andreas published the artcileCyclometalated Analogues of Platinum Terpyridine Complexes: Kinetic Study of the Strong ¦Ò-Donor Cis and Trans Effects of Carbon in the Presence of a ¦Ð-Acceptor Ligand Backbone, Recommanded Product: 1,1-Dimethylthiourea, the publication is Inorganic Chemistry (2003), 42(20), 6528-6538, database is CAplus and MEDLINE.

The substitution kinetics of the complexes [Pt(N-N-C)Cl] (N-N-CH = 6-phenyl-2,2′-bipyridine), [Pt(N-C-N)Cl] (N-CH-N = 1,3-di(2-pyridyl)benzene), and [Pt(N-N-N)Cl]Cl (N-N-N = 2,2′:6′,2”-terpyridine) with the nucleophiles Br^–, I^–, and, for the first two complexes, also thiourea, N,N-dimethylthiourea, and N,N,N’,N’-tetramethylthiourea, have been studied in methanol as solvent. In case of the thioureas, the activation parameters ¦¤H^?, ¦¤S^?, and ¦¤V^? were also determined from the temperature and pressure dependence of the reactions. Two crystal structures of [Pt(N-N-C)Cl] were determined (yellow and red polymorphs); the intense red color of the latter polymorph results from Pt-Pt interactions (Pt-Pt distance = 3.366 ?). The data enable an anal. of the cis and trans effects and the influence of the strong ¦Ò-donor carbon in the presence of an electron withdrawing ¦Ð-acceptor ligand backbone. The results indicate that the intrinsic reactivity is enhanced greatly by the labilizing effect of the trans carbon donor, but the nucleophilic discrimination is dramatically reduced due to the decrease in electrophilicity on the metal center. However, although the electron withdrawing ¦Ð-acceptor effect is partly counteracted by the ¦Ò-donor effect, the complex still benefits from a higher nucleophilic discrimination than in the comparable Pt(II) trans carbon donor complexes, where no or fewer ¦Ð-acceptors are present. In the case of the cis carbon donor complex, the intrinsic reactivity remains unchanged, but the nucleophilic discrimination is reduced and leads to a reduced reactivity of the [Pt(N-N-C)Cl] complex in comparison to [Pt(N-N-N)Cl]Cl. On the basis of these results, a more detailed treatment of the nature of the cis effect is offered.

Inorganic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Recommanded Product: 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Verma, R. N. published the artcileComparative study of semi empirical calculations of energies and densities of frontier orbitals of Lewis acids and bases, Computed Properties of 6972-05-0, the publication is Inorganic Chemistry: An Indian Journal (2008), 3(2), 154-162, database is CAplus.

Energies and densities of certain Lewis acids and bases have been evaluated by semi empirical methods. AM1, PM3 and PM5, on CACHe Software. The energy values have been mainly used to prepare the scale of hardness, and d. values for identifying sites in different compounds The metal-ligand interaction and the stability of metal-ligand bond have been studied with the help of LUMO d. values of accepter mols. and HOMO d. values of donor mols. The stability of metal ligand bond has also been related with transfer of charge ¦¤N and lowering of energy ¦¤E on complex formation.

Inorganic Chemistry: An Indian Journal published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C6H10O7, Computed Properties of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Dravid, R. N. published the artcileDithioallophanic acids. Part-III: Interaction of carbon oxysulfide with 2-S-benzyl-1,1-dimethyl/1-phenylisothiocarbamides, Application In Synthesis of 6972-05-0, the publication is Journal of the Indian Chemical Society (1983), 60(9), 855-7, database is CAplus.

Interaction of COS with 2-S-benzyl-1,1-dimethylisothiocarbamide in benzene gave 1,1-dimethylthiocarbamide thiocyanate, S-benzyl N,N-dimethylthiocarbamate and S-benzyl N,N-di-methyldithiocarbamate. 2-S-Benzyl-1-phenylisothiocarbamide also affords the corresponding thiocarbamate, dithiocarbamate and in addition phenylthiocarbamide. The mechanism was discussed.

Journal of the Indian Chemical Society published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Application In Synthesis of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia