Tag: 100-200

The author of 《Highly hydrophilic 1,3-oxazol-5-yl benzenesulfonamide inhibitors of carbonic anhydrase II for reduction of glaucoma-related intraocular pressure》 were Kalinin, Stanislav; Valtari, Annika; Ruponen, Marika; Toropainen, Elisa; Kovalenko, Alexander; Nocentini, Alessio; Gureev, Maxim; Dar’in, Dmitry; Urtti, Arto; Supuran, Claudiu T.; Krasavin, Mikhail. And the article was published in Bioorganic & Medicinal Chemistry in 2019. Recommanded Product: 4755-77-5 The author mentioned the following in the article:

Four inhibitors of human carbonic anhydrase II (hCA II) were designed based on the previously reported subnanomolar 1,3-oxazole-based sulfonamide inhibitors of the enzyme to incorporate primary and secondary amine functionality in the carboxamide side chain. The new hydrophilic compounds were found to inhibit the target isoform in sub-nanomolar to low nanomolar range with a good degree of selectivity to several other hCA isoforms. The hydrophilic character of these compounds is advantageous for intraocular residence time but not for corneal permeability which generally requires that a drug be sufficiently lipophilic. Two of the four compounds investigated, however, were found to exert comparable efficacy as 1% eye drops in PBS to that of the clin. used 2% dorzolamide (Trusopt) eye drops. This indicated that the absorption of the compounds may occur via alternative route across conjunctiva and sclera. In addition to this study using Ethyl oxalyl monochloride, there are many other studies that have used Ethyl oxalyl monochloride(cas: 4755-77-5Recommanded Product: 4755-77-5) was used in this study.

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. In the laboratory, acyl chlorides are generally prepared by treating carboxylic acids with thionyl chloride (SOCl2). The reaction is catalyzed by dimethylformamide and other additives.Recommanded Product: 4755-77-5

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

In 2019,European Food Research and Technology included an article by Nie, Cong-ning; Zhong, Xiao-xue; He, Li; Gao, Yuan; Zhang, Xiang; Wang, Cong-ming; Du, Xiao. Quality Control of Methyl Salicylate. The article was titled 《Comparison of different aroma-active compounds of Sichuan Dark brick tea (Camellia sinensis) and Sichuan Fuzhuan brick tea using gas chromatography-mass spectrometry (GC-MS) and aroma descriptive profile tests》. The information in the text is summarized as follows:

Sichuan dark brick tea (Camellia sinensis) and Sichuan Fuzhuan brick tea have signifcantly diferent aroma characteristics although both of them have almost the same processing methods. Thus, these two types of tea were used as the research materials to determine the diferences in their aroma compounds The volatile compounds in the two types of tea were identifed and quantifed by headspace solid-phase microextraction coupled with gas chromatog.-mass spectrometry (HS-SPME-GC-MS), results showed that they both had 37 common volatile compounds Then the aroma-active components were identifed by odor activity value (OAV). It was found that SFBT had 20 aroma-active components, of which β-ionone had the largest OAV (199547.72). SDBT has 21 aroma-active ingredients (including all 20 aroma-active components of SFBT), of which β-ionone again has the largest OAV (114800.66). Finally, the aroma profile diferences between the two tea samples were studied by aroma profle tests, and the results showed that the main aroma diferences of SDBT and SFBT were caused by β-ionone, epoxydihydrolinalool II, Me salicylate, geranylacetone, nerolidol, benzaldehyde, benzyl acetate, nonanal, trans,trans-2,4-heptadienal and 1-octen-3-ol, in addition, defned SFBT’s ‘fungi fower aroma’ and SDBT’s ‘aged fragrance’ from the level of aroma monomer. In addition to this study using Methyl Salicylate, there are many other studies that have used Methyl Salicylate(cas: 119-36-8Quality Control of Methyl Salicylate) was used in this study.

Methyl Salicylate(cas: 119-36-8) has been used: as a component of clarifying solution for treating Mongolian gerbil cochlea intact for immunofluorescence analysis, as a plant elicitor to test its effect on reducing the whitefly population from tomato plants.Quality Control of Methyl Salicylate

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

《Lithiations of 1-trialkylsilylpyrroles: nitrogen-to-carbon silyl-group rearrangement》 was written by Chadwick, Derek J.; Hodgson, Simon T.. Name: Dimethyl 1H-pyrrole-2,3-dicarboxylate And the article was included in Journal of the Chemical Society on August 31 ,1982. The article conveys some information:

The regiochem. of lithiation of 1-(trimethylsilyl)- (I) and 1-(triethylsilyl)pyrrole (II) with BuLi and Me3CLi was studied under a variety of conditions. With short reaction times, BuLi reacts with I in hexane predominantly at the 2-position, whereas with Me3CLi in pentane the unusual 3-metalated product is preferred. During prolonged reaction of I and II with Me3CLi the 2-monolithio and 2,4- and 2,5-dilithio intermediates were formed, in which the silyl groups migrated to C-2. Under conditions favoring enhanced ionicity, BuLi cleaved the N-SiMe3 bond in preference to ring metalation. In the part of experimental materials, we found many familiar compounds, such as Dimethyl 1H-pyrrole-2,3-dicarboxylate(cas: 2818-08-8Name: Dimethyl 1H-pyrrole-2,3-dicarboxylate)

Dimethyl 1H-pyrrole-2,3-dicarboxylate(cas: 2818-08-8) belongs to pyrroles. Pyrroles are components of more complex macrocycles, including the porphyrinogens and products derived therefrom, including porphyrins of heme, the chlorins, bacteriochlorins, and chlorophylls. Porphobilinogen, a trisubstituted pyrrole, is the biosynthetic precursor to many natural products such as heme.Name: Dimethyl 1H-pyrrole-2,3-dicarboxylate

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

The author of 《Aziridine electrophiles in the functionalization of peptide chains with amine nucleophiles》 were Spork, Anatol P.; Donohoe, Timothy J.. And the article was published in Organic & Biomolecular Chemistry in 2015. Synthetic Route of C8H17NO2 The author mentioned the following in the article:

We describe herein the synthesis of aziridine-containing amino acids embedded within tripeptide structures. A range of amine nucleophiles have been shown to open the aziridine amino acid regioselectively at the β-position under mild conditions and without the requirement for a catalyst, forming new adducts in the process. Amino acid N-termini (or an N-containing side-chain) also served as effective nucleophiles for such aziridines and this concept could be extended to encompass a di- or tripeptide nitrogen as a nucleophile, thus providing new methodol. for linking together peptide strands using an amine linker. In the experiment, the researchers used many compounds, for example, Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2Synthetic Route of C8H17NO2)

Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.Synthetic Route of C8H17NO2

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

Gao, Xin; Turek-Herman, Joshua R.; Choi, Young Joo; Cohen, Ryan D.; Hyster, Todd K. published their research in Journal of the American Chemical Society on December 1 ,2021. The article was titled 《Photoenzymatic Synthesis of α-Tertiary Amines by Engineered Flavin-Dependent “”Ene””-Reductases》.Recommanded Product: 30414-53-0 The article contains the following contents:

α-Tertiary amines are a common motif in pharmaceutically important mols. but are challenging to prepare using asym. catalysis. Here, author demonstrate engineered flavin-dependent ‘ene’-reductases (EREDs) can catalyze radical additions into oximes to prepare this motif. Two different EREDs were evolved into competent catalysts for this transformation with high levels of stereoselectivity. Mechanistic studies indicate that the oxime contributes to the enzyme templated charge-transfer complex formed between the substrate and cofactor. These products can be further derivatized to prepare a variety of motifs, highlighting the versatility of ERED photoenzymic catalysis for organic synthesis. In the part of experimental materials, we found many familiar compounds, such as Methyl 3-oxovalerate(cas: 30414-53-0Recommanded Product: 30414-53-0)

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.Recommanded Product: 30414-53-0

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

COA of Formula: C6H10O3On September 5, 2021 ,《Rational design, synthesis, biological evaluation and molecular docking studies of chromone-pyrimidine derivatives as potent anti-cancer agents》 was published in Journal of Molecular Structure. The article was written by Kantankar, Abhijit; Jayaprakash Rao, Y.; Mallikarjun, G.; Hemasri, Y.; Kethiri, Raghava Reddy. The article contains the following contents:

A series of pyrimidine based chromone hybrids I [R = Me, methoxymethyl, 4-fluorophenyl, etc.; R1 = H, methoxycarbonyl, ethoxycarbonyl, etc.] were synthesized from 7-methoxy-8-formyl-chromone using facile multi-component modified Biginelli reaction. All the synthesized compounds I were characterized and evaluated for their in-vitro anti-cancer activity against three cancer cell lines, human cervical (HeLa), lung (A549), myelogenous leukemia (K562) cancer cell lines and on a normal cell line(HEK-293) for the selectivity reference Among them, compounds I [R = 4-fluorophenyl, 2-fluorophenyl, 4-methoxyphenyl, 4-(trifluoromethoxy)phenyl; R1 = H] and I [R = methoxymethyl, methyl; R1 = methoxycarbonyl, ethoxycarbonyl] exhibited potent anti-cancer activities against A549, HeLa and K562 cell lines with IC50 values in micro molar range. The compounds I were displayed selective anti-cancer activity against K562 cell line compared to on other cancer cell lines. All the compounds I showed relative non-toxicity against normal cell line. The selectivity of the compounds against K562 cell line has been substantiated by mol. docking in BCR-ABL Tyrosine kinase using genetic algorithm program (GOLD 3.0.1). These results indicated that the chromones I were promised as the anti-cancer agents for the effective treatment of different types of cancers. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-oxovalerate(cas: 30414-53-0COA of Formula: 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.COA of Formula: C6H10O3

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

《Ligand-controlled divergent dehydrogenative reactions of carboxylic acids via C-H activation》 was written by Wang, Zhen; Hu, Liang; Chekshin, Nikita; Zhuang, Zhe; Qian, Shaoqun; Qiao, Jennifer X.; Yu, Jin-Quan. Quality Control of Benzyl acrylateThis research focused onunsaturated carboxylic acid alkylidene butenolide preparation chemoselective; carboxylic acid dehydrogenation palladium pyridine pyridone ligand catalyst. The article conveys some information:

Dehydrogenative transformations of alkyl chains to alkenes through methylene carbon-hydrogen (C-H) activation remain a substantial challenge. Two classes of pyridine-pyridone ligands that enable divergent dehydrogenation reactions through palladium-catalyzed β-methylene C-H activation of carboxylic acids, leading to the direct syntheses of α,β-unsaturated carboxylic acids or γ-alkylidene butenolides have been reported. The directed nature of this pair of reactions allows chemoselective dehydrogenation of carboxylic acids in the presence of other enolizable functionalities such as ketones, providing chemoselectivity that is not possible by means of existing carbonyl desaturation protocols. Product inhibition is overcome through ligand-promoted preferential activation of C(sp3)-H bonds rather than C(sp2)-H bonds or a sequence of dehydrogenation and vinyl C-H alkynylation. The dehydrogenation reaction is compatible with mol. oxygen as the terminal oxidant. The experimental process involved the reaction of Benzyl acrylate(cas: 2495-35-4Quality Control of Benzyl acrylate)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Quality Control of Benzyl acrylate

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

Safety of Ethyl 2-amino-2-thioxoacetateIn 2002 ,《Anilinoquinazoline Inhibitors of Fructose 1,6-Bisphosphatase Bind at a Novel Allosteric Site: Synthesis, In Vitro Characterization, and X-ray Crystallography》 was published in Journal of Medicinal Chemistry. The article was written by Wright, Stephen W.; Carlo, Anthony A.; Carty, Maynard D.; Danley, Dennis E.; Hageman, David L.; Karam, George A.; Levy, Carolyn B.; Mansour, Mahmoud N.; Mathiowetz, Alan M.; McClure, Lester D.; Nestor, Nestor B.; McPherson, R. Kirk; Pandit, Jayvardhan; Pustilnik, Leslie R.; Schulte, Gayle K.; Soeller, Walter C.; Treadway, Judith L.; Wang, Ing-Kae; Bauer, Paul H.. The article contains the following contents:

Thiazolylphenylaminoquinazolines I (R = H, Me, c-C3H5, EtCH2, Ph, PhCH2, HOCH2, MeOCH2, H2N, MeNH, Me2N, H2NNH, MeO, EtO, HO2C, H2NCO; R1 = H, F; R2 = H, Cl, F; R3 = H, F3C; R4 = H, Br, Cl, F, Me, MeO, Et, EtO; R5 = H, Me, Et, EtCH2, Me2CH, PhCH2, Cl, ClCH2, ClCH2CH2, ClCH2CH2CH2, F3C, MeSO2CH2, MeOCH2, H2NCH2, Me2NCH2, EtNHCH2, 1-pyrrolidinylmethyl, HO2CCH2, 1-imidazolyl, H2NCH2CH2) and other heterocyclyl- and arylphenylaminoquinazolines were prepared and found to act as allosteric inhibitors of fructose-1,6-bisphosphatase (F16BPase); the structure-activity relationship of I to binding at F16BPase and selectivity for F16BPase over the epidermal growth factor receptor tyrosine kinase (EGFR), the original target for I, were evaluated. I have a different SAR as inhibitors of F16Bpase than anilinoquinazolines previously reported. Selective inhibition of F16BPase was attained through the addition of appropriate polar functional groups at the quinazoline 2-position, thus separating the F16BPase inhibitory activity from the epidermal growth factor receptor tyrosine kinase inhibitory activity previously observed with similar structures. Substitution of other heterocycles for the thiazolyl moiety in I gave compounds with variable activities at both F16BPase and at EGFR; the effective inhibitors were selective for EGFR. Alteration of the 6,7-diethoxyquinazoline segment abolished F16BPase inhibition. A symmetry-repeated novel allosteric site present in the homotetrameric form of F16BPase at the interface of its subunits was found to bind I and related anilinoquinazolines. I inhibit F16BPase by binding to a loop comprised of residues 52-72 in the monomer, preventing the necessary participation of these residues in the assembly of the catalytic site. Mutagenesis of glutamine 50 and of glutamine 55 of F16BPase abolish the binding of I and are the key amino acid residues required for inhibitor recognition and binding. The crystal structure of I (R = HOCH2; R1 = R2 = R3 = R4 = R5 = H) bound to porcine kidney F16BPase was determined In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Safety of Ethyl 2-amino-2-thioxoacetate)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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 Ethyl 2-amino-2-thioxoacetate

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

Recommanded Product: 16982-21-1In 2016 ,《Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes》 was published in European Journal of Medicinal Chemistry. The article was written by Li, Zheng; Qiu, Qianqian; Xu, Xue; Wang, Xuekun; Jiao, Lei; Su, Xin; Pan, Miaobo; Huang, Wenlong; Qian, Hai. The article contains the following contents:

The free fatty acid receptor 1 (FFA1/GPR40) has attracted interest as a novel target for the treatment of type 2 diabetes. Several series of FFA1 agonists including TAK-875, the most advanced compound terminated in phase III studies due to concerns about liver toxicity, have been hampered by relatively high mol. weight and lipophilicity. Aiming to develop potent FFA1 agonists with low risk of liver toxicity by decreasing the lipophilicity, the middle benzene ring of TAK-875 was replaced by 11 polar five-membered heteroaromatics Subsequently, systematic exploration of SAR and application of mol. modeling, leads to the identification of compound I, which was an excellent FFA1 agonist with robustly hypoglycemic effect both in normal and type 2 diabetic mice, low risks of hypoglycemia and liver toxicity even at the twice molar dose of TAK-875. Meanwhile, two important findings were noted. First, the Me group in our thiazole series occupied a small hydrophobic subpocket which had no interactions with TAK-875. Furthermore, the agonistic activity revealed a good correlation with the dihedral angle between thiazole core and the terminal benzene ring. These results promote the understanding of ligand-binding pocket and might help to design more promising FFA1 agonists. In the experiment, the researchers used many compounds, for example, Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Recommanded Product: 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Recommanded Product: 16982-21-1

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

Related Products of 403-33-8In 2021 ,《Second-Generation Dual FXR/sEH Modulators with Optimized Pharmacokinetics》 was published in Journal of Medicinal Chemistry. The article was written by Helmstaedter, Moritz; Kaiser, Astrid; Brunst, Steffen; Schmidt, Jurema; Ronchetti, Riccardo; Weizel, Lilia; Proschak, Ewgenij; Merk, Daniel. The article contains the following contents:

Non-alc. steatohepatitis (NASH) presents as an epidemic chronic liver disease that is closely associated with metabolic disorders and involves hepatic steatosis, inflammation, and fibrosis as key factors. Despite the enormous global prevalence of NASH, effective pharmacol. interventions are lacking. Based on the hypothesis that the multifactorial condition NASH may benefit from combined multiple modes of action for enhanced therapeutic efficacy, we have previously developed dual FXR activators/sEH inhibitors (FXRa/sEHi) and observed remarkable antifibrotic effects upon their use in rodent NASH models. However, these first-generation FXRa/sEHi were characterized by moderate metabolic stability and short in vivo half-life. Aiming to overcome these pharmacokinetic drawbacks, we have systematically studied the structure-activity and structure-stability relationships of the chemotype and obtained second-generation FXRa/sEHi with improved pharmacokinetic parameters. With high plasma exposure, a half-life greater than 5 h, and similar dual potency on the intended targets, I presents as a substantially optimized FXRa/sEHi for late-stage preclin. development.Methyl 4-fluorobenzoate(cas: 403-33-8Related Products of 403-33-8) was used in this study.

Methyl 4-fluorobenzoate(cas: 403-33-8) can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.Related Products of 403-33-8

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