Tag: 100-200

In 2013,Yellol, Gorakh S.; Donaire, Antonio; Yellol, Jyoti G.; Vasylyeva, Vera; Janiak, Christoph; Ruiz, Jose published 《On the antitumor properties of novel cyclometalated benzimidazole Ru(ii), Ir(iii) and Rh(iii) complexes》.Chemical Communications (Cambridge, United Kingdom) published the findings.Related Products of 329-59-9 The information in the text is summarized as follows:

Smart design and efficient synthesis of benzimidazole Ru, Ir and Rh cyclometalated complexes are reported with promising cytotoxic activity against HT29, T47D, A2780 and A2780cisR cancer cell lines. Their apoptosis, accumulation, cell cycle arrest, protein binding and DNA binding effects are also discussed. In the experiment, the researchers used many compounds, for example, Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Related Products of 329-59-9)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Related Products of 329-59-9Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Two immunoassays for the detection of 2C-B and related hallucinogenic phenethylamines》 was written by Sulakova, Anna; Fojtikova, Lucie; Holubova, Barbora; Bartova, Katerina; Lapcik, Oldrich; Kuchar, Martin. Synthetic Route of C4H5ClO3This research focused onurine hallucinogenic phenethylamine immunoassay; 2C-B; ELISA; Hapten synthesis; LFIA; Methods; Polyclonal antibodies production. The article conveys some information:

The use of new psychoactive substances as drugs of abuse has dramatically increased over the last years. Hallucinogenic phenethylamines gained particular popularity as they have both stimulating and psychedelic effects. Although generally perceived as safe, these illicit drugs pose a serious health risk; they have been linked to cases of severe poisoning or even deaths. Therefore, simple, cost-effective and reliable methods are needed for rapid determination of abused hallucinogens. For this purpose, two haptens derived from 2C-H were designed, synthesized and subsequently attached to a carrier protein. Polyclonal antibodies obtained from a rabbit immunized with one of the prepared immunogens were used for the development of two immunoassays. In this study, a lateral flow immunoassay (LFIA) and an enzyme linked immunosorbent assay (ELISA) for the detection of 2C-B and related hallucinogenic phenethylamines in urine were developed. The presented LFIA is primarily suitable for on-site monitoring as it is simple and can provide a visual evidence of 2C-B presence within a few minutes. Its reasonable sensitivity (LODLFIA = 15 ± 7 ng mL-1) allows detection of the drug presence in urine after acute exposure. For greater accuracy, highly sensitive ELISA (LODELISA = 6 ± 3 pg mL-1) is proposed for toxicol. quant. analyses of pos. samples captured by the LFIA. The comparison of the ELISA with the well-established UHPLC-MS-MS method shows excellent agreement of results, which confirms good potential of the ELISA to be used for routine analyses of 2C-B and related hallucinogenic phenethylamines of both main sub-families. The experimental process involved the reaction of Ethyl oxalyl monochloride(cas: 4755-77-5Synthetic Route of C4H5ClO3)

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Synthetic Route of C4H5ClO3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Asymmetric organocatalytic multicomponent reactions for efficient construction of bicyclic compounds bearing bisacetal and isoxazolidine moieties》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Pei, Jun-Ping; Lv, Xue-Jiao; Peng, Chen-Jun; Liu, Yan-Kai. Safety of N-tert-Butoxycarbonylhydroxylamine The article mentions the following:

An organocatalytic multicomponent reaction of N-protected hydroxylamines R1NHOH (R1 = Boc, Troc, Cbz), acrolein and acetal-containing enones (MeO)2CHCH:CHR2 (R2 = O2N, PhCO, PhCH:CHCO, etc.) has been developed. Bisacetal-containing bicyclic isoxazolidine derivatives bearing four continuous stereocenters I were formed with excellent stereoselectivities. A plausible reaction pathway was proposed based on 18O-labeling control experiments In addition to this study using N-tert-Butoxycarbonylhydroxylamine, there are many other studies that have used N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Safety of N-tert-Butoxycarbonylhydroxylamine) was used in this study.

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Safety of N-tert-Butoxycarbonylhydroxylamine

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1H-azepines》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.. Safety of N-tert-Butoxycarbonylhydroxylamine The article mentions the following:

Thermolysis of enantiomerically pure 3-substituted 7,7-dihalo-2-azabicyclo[4.1.0]heptanes (1R,3S,6S/1S,3S,6R/(1R,3R,6S)(S)/(1S,3R,6R)(S))-I [X = Cl, Br; R = Me, Bn, 2-[(tert-butyldiphenylsilyl)oxy]ethyl, etc.] in the presence of K2CO3 results in good yields of 2-alkyl-6-halo-1-tosyl-2,3-dihydro-1H-azepines (R/S/(R)(S))-II. These compounds undergo highly stereoselective [4+2] cycloaddition reactions with heterodienophiles such as 4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione, tert-Bu hydroxycarbamate, benzyl hydroxycarbamate and arylation/alkenylation under Suzuki conditions. After reading the article, we found that the author used N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Safety of N-tert-Butoxycarbonylhydroxylamine)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.Safety of N-tert-Butoxycarbonylhydroxylamine

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

COA of Formula: C5H11NO2In 2022 ,《Algorithm for the Pruning of Synthesis Graphs》 was published in Journal of Chemical Information and Modeling. The article was written by Zahoranszky-Kohalmi, Gergely; Lysov, Nikita; Vorontcov, Ilia; Wang, Jeffrey; Soundararajan, Jeyaraman; Metaxotos, Dimitrios; Mathew, Biju; Sarosh, Rafat; Michael, Samuel G.; Godfrey, Alexander G.. The article contains the following contents:

Synthesis route planning is in the core of chem. intelligence that will power the autonomous chem. platforms. In this task we rely on algorithms to generate possible synthesis routes with the help of retro- and forward-synthetic approaches. Generated synthesis routes can be merged into a synthesis graph which represents theor. pathways to the target mol. However, it is often required to modify a synthesis graph due to typical constraints. These constraints might include “”undesirable substances””, e.g., an intermediate that the chemist does not favor, or substances that might be toxic. Consequently, we need to prune the synthesis graph by the elimination of such undesirable substances. Synthesis graphs can be represented as directed (not necessarily acyclic) bipartite graphs, and the pruning of such graphs in the light of a set of undesirable substances has been an open question. In this study, we present the Synthesis Graph Pruning (SGP) algorithm that addresses this question. The input to the SGP algorithm is a synthesis graph, and a set of undesirable substances. Furthermore, information for substances is provided as metadata regarding their availability from inventory. The SGP algorithm operates with a simple local rule set, in order to determine which nodes and edges need to be eliminated from the synthesis graph. In this study, we present the SGP algorithm in details and provide several case studies that demonstrate the operation of the SGP algorithm. We believe that the SGP algorithm will be an essential component of computer aided synthesis planning. After reading the article, we found that the author used tert-Butyl carbamate(cas: 4248-19-5COA of Formula: C5H11NO2)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).COA of Formula: C5H11NO2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2022,Fuentes-Aguilar, Alma; Merino-Montiel, Penelope; Montiel-Smith, Sara; Meza-Reyes, Socorro; Vega-Baez, Jose Luis; Puerta, Adrian; Fernandes, Miguel X.; Padron, Jose M.; Petreni, Andrea; Nocentini, Alessio; Supuran, Claudiu T.; Lopez, Oscar; Fernandez-Bolanos, Jose G. published an article in Journal of Enzyme Inhibition and Medicinal Chemistry. The title of the article was 《2-Aminobenzoxazole-appended coumarins as potent and selective inhibitors of tumour-associated carbonic anhydrases》.COA of Formula: C7H12O3 The author mentioned the following in the article:

We have carried out the design, synthesis, and evaluation of a small library of 2-aminobenzoxazole-appended coumarins as novel inhibitors of tumor-related CAs IX and XII. Substituents on C-3 and/or C-4 positions of the coumarin scaffold, and on the benzoxazole moiety, together with the length of the linker connecting both units were modified to obtain useful structure-activity relationships. CA inhibition studies revealed a good selectivity towards tumor-associated CAs IX and XII (Ki within the mid-nanomolar range in most of the cases) in comparison with CAs I, II, IV, and VII (Ki > 10 μM); CA IX was found to be slightly more sensitive towards structural changes. Docking calculations suggested that the coumarin scaffold might act as a prodrug, binding to the CAs in its hydrolyzed form, which is in turn obtained due to the esterase activity of CAs. An increase of the tether length and of the substituents steric hindrance was found to be detrimental to in vitro antiproliferative activities. Incorporation of a chlorine atom on C-3 of the coumarin moiety achieved the strongest antiproliferative agent, with activities within the low micromolar range for the panel of tumor cell lines tested. In the experiment, the researchers used Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3COA of Formula: C7H12O3)

Ethyl 2-methyl-3-oxobutanoate(cas: 609-14-3) belongs to ketone compounds. Ketones are highly reactive, although less so than aldehydes, to which they are closely related. Much of their chemical activity results from the nature of the carbonyl group. Ketones readily undergo a wide variety of chemical reactions.COA of Formula: C7H12O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2016,Selvaraju, Manikandan; Ye, Tzuen-Yang; Li, Chia-Hsin; Ho, Pei-Heng; Sun, Chung-Ming published 《Copper catalyzed aerobic oxidative cyclization and ketonization: one pot synthesis of benzoimidazo[1,2-a]imidazolones》.Chemical Communications (Cambridge, United Kingdom) published the findings.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate The information in the text is summarized as follows:

A highly efficient synthesis of benzoimidazo[1,2-a]imidazolone I [R1 = 6-CH3, 6-C(O)OCH3, 7-Cl, etc.; R2 = CH(CH3)2, cyclopentyl, 2-(thiophen-2-yl)ethyl, etc.; R3 = Ph, naphthalen-2-yl, 1-methyl-1H-pyrrol-2-yl, etc.; R4 = 4-H3CC6H4, biphen-4-yl, 2-pyridyl, etc.] through a novel oxidative 5-exo-dig cyclization-ketonization cascade of 2-aminobenzimidazole II [R1 = 5-CH3, 5-C(O)OCH3, 6-Cl, etc.], aldehyde R3CHO and terminal alkyne R4CCH has been explored under aerobic conditions. The reaction proceeds through copper-catalyzed addition of terminal alkynes to imines derived from 2-aminobenzimidazole with aldehyde followed by intramol. cyclization. The atm. mol. oxygen acts as an oxygen source for the newly formed carbonyl group in the final product I. In the experiment, the researchers used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2013,Schofield, Joseph; Brasseur, Denis; Bruin, Beatrice; Vassal, Thierry; Klieber, Sylvie; Arabeyre, Catherine; Bourrie, Martine; Sadoun, Freddy; Fabre, Gerard published 《Effect of deuteration on the metabolism and clearance of some pharmacologically active compounds-synthesis and in vitro metabolism of deuterated derivatives of dronedarone》.Journal of Labelled Compounds and Radiopharmaceuticals published the findings.Recommanded Product: 6149-41-3 The information in the text is summarized as follows:

The synthesis and in vitro metabolism studies of a family of specifically deuterated derivatives of dronedarone (I) are described. Metabolic stability and clearance of the parent compound are not sensitive to deuterium substitution, irresp. of the position of the heavy label. The results came from multiple reactions, including the reaction of Methyl 3-hydroxypropanoate(cas: 6149-41-3Recommanded Product: 6149-41-3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Recommanded Product: 6149-41-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2004,Andrews, Stephen P.; Joensson, Daniel; Warrington, Brian H.; Ladlow, Mark published 《Automated parallel, multi-step polymer-assisted solution phase (PASP) synthesis of substituted benzimidazole derivatives》.Combinatorial Chemistry and High Throughput Screening published the findings.Reference of Methyl 4-fluoro-3-nitrobenzoate The information in the text is summarized as follows:

The automated polymer-assisted solution phase (PASP) synthesis of a 72 member library of 1-R1-2-R2S-5-R3C(O)benzimidazoles (e.g. 2-(benzylthio)-1-sec-butyl-5-(cyclopentylcarbamoyl)benzimidazole) and 1-R1-3-R2-5-R3C(O)benzimidazol-2(3H)-ones (e.g. 3-benzyl-1-sec-butyl-5-(cyclopentylcarbamoyl)-1H-benzimidazol-2(3H)-one) using com. available robotic workstations is described. By incorporating both automated aqueous work-ups, in-line scavenging and catch and release protocols the desired compounds were obtained directly in good yields and excellent purities without the need for conventional chromatog. purification The synthesis described demonstrates how both manual and automated equipment may be used together to provide a versatile approach that facilitates parallel compound synthesis. In addition to this study using Methyl 4-fluoro-3-nitrobenzoate, there are many other studies that have used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Reference of Methyl 4-fluoro-3-nitrobenzoate) was used in this study.

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Reference of Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Formula: C6H10O3On November 30, 2020 ,《Antidiabetic Activity of Dihydropyrimidine Scaffolds and Structural Insight by Single Crystal X-ray Studies》 appeared in Medicinal Chemistry (Sharjah, United Arab Emirates). The author of the article were Bairagi, Keshab M.; Younis, Nancy S.; Emeka, Promise M.; Sangtani, Ekta; Gonnade, Rajesh G.; Venugopala, Katharigatta N.; Alwassil, Osama I.; Khalil, Hany E.; Nayak, Susanta K.. The article conveys some information:

This research project is designed to identify the anti-diabetic effects of the newly synthesized compounds to conclude the perspective of consuming one or more of these new synthetic compounds for diabetes management. A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and electron-withdrawing substituent′s on Ph ring (a-j) were synthesized and screened for antihyperglycemic(anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The newly synthesized compounds were characterized by using FT-IR, m.p., 1H and 13C NMR anal. The crystal structure and supramol. features were analyzed through single-crystal X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based on their relative substituent on the Ph ring along with urea and thiourea. Among the synthesized DHPM scaffold, the test compound c having chlorine group on Ph ring at the ortho position to the hydropyrimidine ring with urea and Me acetoacetate derivative shows moderate lowering of glucose level. However, the title compounds Me 4-(4-hydroxy-3-methoxyphenyl)- 6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(g) and Et 4-(3-ethoxy-4- hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(h) having methoxy and ethoxy substituents on Ph ring show significant hypoglycemic activity compared to the remaining compounds from the Scheme 1. The exptl. rat models for the study were divided into 13 groups (n = 10); group 1 animals were treated with 0.5% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin (STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The blood glucose level was measured before and 72 h after nicotinamide-STZ injection, for confirmation of hyperglycemia and type 2 diabetes development. Blood glucose levels were significantly (p<0.05) reduced after treatment with these derivatives The mean percentage reduction for gliclazide was 50%, while that of synthesized compounds were approx. 36%. Our result suggests that the synthesized new DHPM derivative containing alkoxy group on the Ph ring shows a significant lowering of glucose level compared to other derivatives In the experiment, the researchers used many compounds, for example, Methyl 3-oxovalerate(cas: 30414-53-0Formula: C6H10O3)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Formula: C6H10O3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics