Tag: 200-300

On August 31, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.COA of Formula: C9H21N3O3 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. [Erratum to document cited in CA146:516278]. And the article contained the following:

On page 673, in the conclusion section, the text, “As a comparative exercise, the alerts used in the present work were compared with three alert lists of Ashby, Kazius, and Benigni,” should read: “As a comparative exercise, the alerts used in the present work were compared with alert lists of Ashby and Kazius, as well as the lists reported by Benigni in his review.”. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).COA of Formula: C9H21N3O3

The Article related to erratum mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.COA of Formula: C9H21N3O3

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On April 30, 2007, Serafimova, R.; Todorov, M.; Pavlov, T.; Kotov, S.; Jacob, E.; Aptula, A.; Mekenyan, O. published an article.Recommanded Product: 4719-04-4 The title of the article was Identification of the Structural Requirements for Mutagenicity, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals. II. General Ames Mutagenicity Model. And the article contained the following:

The tissue metabolic simulator (TIMES) modeling approach is a hybrid expert system that couples a metabolic simulator together with structure toxicity rules, underpinned by structural alerts, to predict interaction of chems. or their metabolites with target macromols. Some of the structural alerts representing the reactivity pattern-causing effect could interact directly with the target whereas others necessitated a combination with two- or three-dimensional quant. structure-activity relationship models describing the firing of the alerts from the rest of the mols. Recently, TIMES has been used to model bacterial mutagenicity (O. Mekenyan, O., et al.,2004). The original model was derived for a single tester strain, Salmonella typhimurium (TA100), using the Ames test by the National Toxicol. Program (NTP). The model correctly identified 82% of the primary acting mutagens, 94% of the nonmutagens, and 77% of the metabolically activated chems. in a training set. The identified high correlation between activities across different strains changed the initial strategic direction to look at the other strains in the next modeling developments. In this respect, the focus of the present work was to build a general mutagenicity model predicting mutagenicity with respect to any of the Ames tester strains. The use of all reactivity alerts in the model was justified by their interaction mechanisms with DNA, found in the literature. The alerts identified for the current model were analyzed by comparison with other established alerts derived from human experts. In the new model, the original NTP training set with 1341 structures was expanded by 1626 proprietary chems. provided by BASF AG. Eventually, the training set consisted of 435 chems., which are mutagenic as parents, 397 chems. that are mutagenic after S9 metabolic activation, and 2012 nonmutagenic chems. The general mutagenicity model was found to have 82% sensitivity, 89% specificity, and 88% concordance for training set chems. The model applicability domain was introduced accounting for similarity (structural, mechanistic, etc.) between predicted chems. and training set chems. for which the model performs correctly. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Recommanded Product: 4719-04-4

The Article related to mutagenicity mol flexibility qsar model mutagen, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Recommanded Product: 4719-04-4

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On October 31, 2002, Kleber, Marcus; Blaszkewicz, Meinolf; Lucas, Stephanie; Bolt, Hermann M.; Foellmann, Wolfram published an article.SDS of cas: 4719-04-4 The title of the article was Mutagenic effects of cutting fluids and components in the Salmonella typhimurium mutagenicity assay. And the article contained the following:

Emulsions of water-soluble cutting fluids (wsCF) are used in large quantities in the metal industry. In order to reduce the costs for use and disposal of these fluids, new technologies are being introduced. Minimist Lubricant Supply (MLS) uses only minimal amounts of cutting fluids. In contrast to conventional wsCF, which are complex multicompound mixtures, MLS cutting fluids are composed of one or two components only, like fatty alcs. and fatty acid esters. The aim of the study was to identify and compare the mutagenic potential of these cutting fluids as a first indicator of a possible hazard of systemic effects after inhalation or dermal absorption of the fluids at the workplace. The Salmonella typhimurium assay (Ames assay) was used as a screening method to detect mutagenic effects of cutting fluids. Conventional wsCF and MLS cutting fluids were tested in the strains TA 98, TA 100, TA 102 and TA 104, in the presence and absence of an external metabolizing enzyme system (rat liver S9-mix), using a preincubation (20 min) test protocol. For MLS fluids, no mutagenicity was found in a concentration range between 1 and 10 mg/plate in the Ames assay. Among five tested conventional wsCF, two were mutagenic in the Ames assay at concentration ranges between 2.5 and 15 mg/plate. In cooperation with the manufacturer, 18 defined components of cutting fluids were tested sep. The results revealed that formaldehyde generators, derivatives of oxazolidine and hexahydrotriazine used as biocides for preservation of the fluids, were mutagenic. Four components were nonmutagenic but cytotoxic, whereas the remaining components displayed no bacterial mutagenicity. The present results show the potential hazard of biocides for workers handling these fluids. An exposure via inhalation and/or dermal absorption could cause an addnl. risk due to mutagenic ingredients. Under aspects of workers’ safety, a further discussion about the use of specific components in cutting fluids is recommended. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).SDS of cas: 4719-04-4

The Article related to mutation mutagen cutting fluid salmonella, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.SDS of cas: 4719-04-4

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On March 14, 2019, Ashcraft, Luke; Boezio, Alessandro; Butler, John; Chandra, Aroop; Chuang, Chihyuan; Collibee, Scott E.; Debenedetto, Mikkel; Dimassa, Vincent; Graceffa, Russell; Malinowski, Justin; Moebius, David; Morgan, Bradley P.; Payette, Joshua; Romero, Antonio; St. Jean, David, Jr.; Vargas, Richard; Yeoman, John; Zhang, Hanmo published a patent.Application of 306281-86-7 The title of the patent was Bisamides as cardiac sarcomere modulators and their preparation. And the patent contained the following:

The invention provides a compound of formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising a compound of the invention, a method for manufacturing compounds of the invention and therapeutic uses thereof. Compounds of formula I wherein Q is (un)substituted aryl, (un)substituted sulfonylpyrrolidinyl, (un)substituted 5- to 6-membered heteroaryl, etc.; X1 is N and CR2; X2, X3, X4 and X5 are independently N and CR3, provided at 0, 1 or 2 of X1 – X5 are N and the remaining are CR2 and CR3; R1a is H, C1-6 alkyl and halo; R1 is H, C1-6 alkyl, C1-6 alkenyl, C2-6 alkynyl, etc.; R2 is H, halo, C1-6 alkyl, C1-6 haloalkyl, etc.; R1R2 can be taken together to form (CH2)1-3, OCH2, CH2OCH2, etc.; R3 is H, halo, C1-6 alkyl, SF5, etc.; R13a is H and C1-6 alkyl; R13 and R14 are independently C1-6 alkyl, C3-7 cycloalkyl, and C3-7 cycloalkyl-C1-6 alkyl; R13R14 can be taken together to form (un)fused (un)saturated 4- to 7-membered heterocyclyl; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by amidation of (R)-1-((S)-1-((3-cyanoazetidin-1-yl)sulfonyl)piperidine-3-carbonyl)pyrrolidine-2-carboxylic acid with benzylamine. The invention compounds were evaluated for their cardiac sarcomere modulatory activity (some data given). The experimental process involved the reaction of (R)-2-Amino-2-(4-(trifluoromethyl)phenyl)ethanol(cas: 306281-86-7).Application of 306281-86-7

The Article related to bisamide preparation sarcomere modulator, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Application of 306281-86-7

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Yang, DaEun; Jin, Chowon; Kang, Hyo published an article in 2022, the title of the article was Vertical Alignment of Liquid Crystal on Sustainable 2,4-Di-tert-butylphenoxymethyl-Substituted Polystyrene Films.Reference of 2,4-Di-tert-butylphenol And the article contains the following content:

We synthesized sustainable 2,4-di-tert-butylphenoxymethyl-substituted polystyrenes (PDtBP#, # = 88, 68, 35, and 19, where # is molar percent contents of 2,4-di-tert-butylphenoxymethyl moiety), using post-polymerization modification reactions in order to study their liquid crystal (LC) alignment behaviors. In general, LC cells fabricated using polymer film with higher molar content of 2,4-di-tert-butylphenoxymethyl side groups showed vertical LC alignment behavior. LC alignment behavior in LC cell was related to the surface energy of the polymer alignment layer. For example, when the total surface energy value of the polymer layer was smaller than about 29.4 mJ/m2, vertical alignment behaviors were observed, generated by the nonpolar 2,4-di-tert-butylphenoxymethyl moiety with long and bulky carbon groups. Orientation stability was observed at 200°C in the LC cells fabricated using PDtBP88 as the LC alignment layer. Therefore, as a natural compound modified polymer, PDtBP# can be used as a candidate LC alignment layer for environmentally friendly applications. The experimental process involved the reaction of 2,4-Di-tert-butylphenol(cas: 96-76-4).Reference of 2,4-Di-tert-butylphenol

The Article related to butylphenoxymethyl substituted polystyrene film liquid crystal, 2,4-di-tert-butylphenol, liquid crystal, orientation layer, polystyrene, vertical, Plastics Fabrication and Uses: Plastic Product Uses and other aspects.Reference of 2,4-Di-tert-butylphenol

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Duan, Jihua; Jiang, Guichang published an article in 2022, the title of the article was Synthesis, Characterization and Properties of Antibacterial Polyurethanes †.HPLC of Formula: 4719-04-4 And the article contains the following content:

Novel phys. crosslinked polyurethane (PUII), based on isophorone diisocyanates, was prepared by a conventional two-step method. The chem. structures of the PUII were characterized by fourier transform IR, proton NMR (1H NMR), gel permeation chromatog., SEM and DSC. The PUII hydrogels were subjected to solvent-induced self-assembly in THF + water to construct a variety of morphologies. The self-assembly morphol. of the PUII was observed by SEM. The PUII films with different amounts (0.2%, 0.4%, 0.6%, 0.8%, 1.0%) of 1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazine (TNO) were challenged with Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Gray mold. The results showed that when a small amount of antibacterial agent were added, the antibacterial effect of films on Botrytis cinerea was more obvious. The mech. evaluation shows that the antimicrobial polyurethane films exhibit good mech. properties. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).HPLC of Formula: 4719-04-4

The Article related to antibacterial polyurethane synthesis self assembly morphol property, electron microscopy, morphology, polyurethanes, self-assembly, Plastics Fabrication and Uses: Plastic Product Uses and other aspects.HPLC of Formula: 4719-04-4

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On October 22, 2015, Hirayama, Takaharu; Fujimoto, Jun; Cary, Douglas Robert; Okaniwa, Masanori; Hirata, Yasuhiro published a patent.HPLC of Formula: 428855-17-8 The title of the patent was Preparation of heterocyclic compounds as cyclin-dependent protein kinase inhibitors for prophylactic and therapeutic treatment of cancer. And the patent contained the following:

The present invention provides a heterocyclic compound having a CDK8 and/or CDK19 inhibitory effect. The present invention provides a compound represented by formula I [R1-R3, R5a, R5b, R7, R8 = H, substituent; R4 = (un)substituted heteroaryl; R5a and R5b may be bonded to form double bond or C3-4 cycloalkyl; R7 and R8 may be bonded to form N-containing heterocyclyl] or a salt thereof. Thus, (2E)-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]-3-[4-(2-thienyl)pyridin-3-yl]acrylamide (preparation given) inhibited CDK8 and CDK19 activity with inhibitory rates of 101 and 100%, resp. at 1 μM and inhibited RPMI8226 cell proliferation with inhibitory rate of 59% at 1 μM. The experimental process involved the reaction of 1-[(Dibenzylamino)methyl]cyclopropanol(cas: 428855-17-8).HPLC of Formula: 428855-17-8

The Article related to preparation heterocycle cyclin dependent protein kinase inhibitor antitumor, pyridine preparation cdk8 cdk19 inhibitor antitumor, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.HPLC of Formula: 428855-17-8

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On May 13, 2004, Linn, David Martin; Wong, Erik Ho Fong published a patent.Safety of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol The title of the patent was Preparation of azabicyclic α7 nicotinic acetylcholine agonists for the treatment of glaucoma and retinal neuropathy. And the patent contained the following:

The invention provides a use or method of treating glaucoma, diabetic retinopathy, or age-related macular degeneration by the administration of azabicycles (azabicyclo-N(R1)C(:X)W (I); X = O, S; R1 = H, alkyl, cycloalkyl, haloalkyl, substituted Ph, substituted naphthyl; W = substituted Ph, (un)substituted 5- or 6-membered heterocyclyl, etc.; addnl. details are given in the claims) that are α7 nAChR agonists (no data) to a mammal in need thereof. Although the methods of preparation are not claimed, many example preparations of intermediates are included. For example, intermediate exo-(4S)-3-amino-1-azabicyclo[2.2.1]heptane bis(p-toluenesulfonate) was prepared in 8 steps (68, 62, 76, 100, 77, 94, 46, 84 % yields, resp.) starting with reaction of benzoyl chloride with 2-nitroethanol to give 2-(benzoyloxy)-1-nitroethane, reaction of Et E-4-bromo-2-butenoate with benzylamine to give Et E-4-(benzylamino)-2-butenoate, reaction of these 2 products to give trans-4-nitro-1-(phenylmethyl)-3-pyrrolidineacetic acid Et ester, reduction to trans-4-amino-1-(phenylmethyl)-3-pyrrolidineacetic acid Et ester, N-protection, reduction to trans-3-(tert-butoxycarbonylamino)-4-(2-hydroxyethyl)-1-(phenylmethyl)pyrrolidine, chromatog. resolution, cyclization of the (+)-enantiomer to give exo-(4S)-3-(tert-butoxycarbonylamino)-1-azabicyclo[2.2.1]heptane and finally deprotection. In another example, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-4-bromo-1H-pyrazole-1-carboxamide hydrochloride was prepared (25 %) by treating 4-bromopyrazole with phosgene followed by (R)-(+)-3-aminoquinuclidine dihydrochloride and excess Et3N, followed by NaOH. The experimental process involved the reaction of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol(cas: 280752-78-5).Safety of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

The Article related to azabicycle preparation nicotinic acetylcholine agonist glaucoma retinal neuropathy, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Safety of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol

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On July 31, 2016, Li, Xiying; Shi, Bing; Chaikittisilp, Watcharop; Li, Mengmeng; Wang, Yujie; Liu, Yong; Gao, Li; Mao, Liqun published an article.HPLC of Formula: 4719-04-4 The title of the article was A general method to synthesize a family of mesoporous silica nanoparticles less than 100 nm and their applications in anti-reflective/fogging coating. And the article contained the following:

Recent advances in strategies for synthesizing mesoporous silica particle (MSN) have enabled the precise control of its morphol., size, and composition which afford the applications in drug delivery and heterogeneous catalysis. Especially for drug delivery, the size of MSNs <100 nm is a prerequisite allowing for hemolysis effect. However, a general method for the synthesis of MSNs with uniform size distribution <100 nm still remains challenging. Herein, a general method was developed to synthesize a family of aqueous colloidal MSNs with uniform size <100 nm using small organic amines (SOAs) or nitrogen-containing heterocyclic compounds (NCHCs) as alk. catalysts in the presence of cationic quaternary ammonium salts as organic templates. The size of MSNs can be easily adjusted within the range from 28 to 100 nm by the cooperative effect of the mixed alk. catalysts or using different quaternary ammonium surfactants as templates. Also, texture properties of MSNs including pore diameter and surface area were controlled by selecting different kinds of SOAs or NCHCs. Based on the low refractive index of MSNs, these as-prepared MSNs serve as building blocks and afford an anti-reflective/fogging coating on glass slide through a facile dip-coating method. The experimental process involved the reaction of 2,2',2''-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).HPLC of Formula: 4719-04-4

The Article related to mesoporous silica nanoparticle monodisperse templating antireflective fogging coating, Industrial Inorganic Chemicals: Bases and Metal Oxides and other aspects.HPLC of Formula: 4719-04-4

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On December 31, 2006, Geier, Johannes; Lessmann, Holger; Becker, Detlef; Bruze, Magnus; Frosch, Peter J.; Fuchs, Thomas; Jappe, Uta; Koch, Patrick; Pfoehler, Claudia; Skudlik, Christoph published an article.Synthetic Route of 4719-04-4 The title of the article was Patch testing with components of water-based metalworking fluids: results of a multicenter study with a second series. And the article contained the following:

Background: Although many allergens in metalworking fluids (MWF) are identified, there are still some MWF components, which are not sufficiently investigated concerning their sensitizing properties. Objectives: To investigate sensitization to 10 frequently used MWF components, which are not part of the established MWF test series, in metalworkers with suspected occupational dermatitis due to MWF. Patients/Methods: Oleyl alc., myristyl alc., dimethylolurea, 4,4′-methylenebis morpholine, imazalil, 1-amino-2-propanol (monoisopropanolamine; MIPA), 2-amino-2-ethyl-1,3-propanediol (AEPD), 2,5-bis(n-octyldithio)-1,3,4-thiadiazole, zinc alkyl dithiophosphate and dibenzyl disulfide have been patch tested in 144 patients. Results: 7 patients reacted pos. to the formaldehyde releaser 4,4′-methylenebis morpholine, and 6 of these patients also reacted to formaldehyde and/or other formaldehyde releasers. 4 Patients reacted pos. to myristyl alc. tested at 10% petrolatum (pet.). Addnl., 20 doubtful or irritant reactions occurred. 1 Patient each reacted pos. to oleyl alc., MIPA, and AEPD. None of the other test substances mentioned above elicited any clear-cut pos. reaction. Patch testing with well-known MWF allergens showed proportions of pos. reactions, which were comparable to those from other studies, e.g. 11% to monoethanolamine, 8% to colophonium and 3%-5% to various preservatives. Conclusions: 4,4′-methylenebis morpholine may be an important MWF allergen, although clin. relevance could not be stated definitely in every case. Myristyl alc. should not be patch tested at 10% pet., but at a lesser concentration, due to irritant properties. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Synthetic Route of 4719-04-4

The Article related to skin allergy allergen metalworking fluid occupational health hazard, Toxicology: Chemicals (Household, Industrial, General) and other aspects.Synthetic Route of 4719-04-4

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