Month: January 2023

Glyphaeaside C-enriched extract of Glyphaea brevis restored the antioxidant and reproductive integrity of 1,4-Dinitrobenzene-intoxicated rats was written by Olugbodi, Janet Olayemi;Olaleye, Mary Tolulope;Mostafa-Hedeab, Gomaa;Alqarni, Mohammed;Ilesanmi, Omotayo Babatunde;Batiha, Gaber El-Saber;Akinmoladun, Afolabi Clement. And the article was included in Biomedicine & Pharmacotherapy in 2022.Computed Properties of C4H10O4 This article mentions the following:

This study assessed the fertility potential of methanol leaf extract of Glyphaea brevis (MGB) in rats exposed to 1,4-Dinitrobenzene (DNB), an environmental reprotoxicant. Male Wistar rats were orally exposed to 50 mg/kg DNB and administered 750 mg/kg MGB, 1500 mg/kg MGB or 300 mg/kg vitamin E for 21 days after 48 h of DNB exposure. Determination of serum reproductive hormone levels by enzyme-linked immunosorbent assays, evaluation of hematol. profile, computer-assisted sperm analyses (CASA) of sperm kinematics and morphol., assessment of testicular and spermatozoan antioxidant systems, and histopathol. evaluation of reproductive tissues were performed. HPLC-DAD anal. identify Glyphaeaside C as the major component of the extract In rats toxified with 50 mg/kg DNB, testicular and epididymal weights, serum levels of LH, testosterone and FSH, and packed cell volume, Hb concentration, and white blood cell counts were decreased. There was altered sperm kinematics which reflected in increased sperm abnormalities. Treatment with the Glyphaeaside C -enriched MGB counteracted all DNB-induced changes and corrected DNB-induced aberrations in kinematic endpoints. Also, testicular and epididymal antioxidant systems were disrupted and there was damage to tissue histoarchitecture. Furthermore, our mol. docking study revealed that Glyphaeaside-C exhibited high binding affinities to the binding pocket of some free radical generating enzymes. Conclusively, the results indicated that Glyphaeaside C-enriched extract of Glyphaea brevis leaf enhanced the quality of semen and improved the functional capabilities of spermatozoa following exposure of rats to DNB which could translate to enhanced fertility. In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Computed Properties of C4H10O4).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

β-Galactosidase-catalyzed intramolecular transglycosylation was written by Komba, Shiro;Ito, Yukishige. And the article was included in Tetrahedron Letters in 2001.Computed Properties of C7H7NO4 This article mentions the following:

A novel transglycosylation strategy for efficient preparation of N-acetyllactosamine (Galβ1→4GlcNAc, LacNAc) and sialyl LacNAc was developed using β-galactosidase from Bacillus circulans. In order to minimize the competing hydrolysis by forcing the enzymic transglycosylation to proceed in an intramol. manner, a novel substrate carrying the donor (galactose) and the acceptor (N-acetylglucosamine) components linked via a 2-hydroxy-5-nitro-benzylalc. derived tether was prepared Treatment with β-galactosidase from B. circulans afforded the transglycosylation product in 26% yield. Furthermore, addition of sialyltransferase and CMP-sialic acid to this system gave sialyl LacNAc in 39% yield. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Computed Properties of C7H7NO4).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Computed Properties of C7H7NO4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid was written by Lubov, Dmitry P.;Lyakin, Oleg Yu.;Samsonenko, Denis G.;Rybalova, Tatyana V.;Talsi, Evgenii P.;Bryliakov, Konstantin P.. And the article was included in Dalton Transactions in 2020.Synthetic Route of C7H9NO This article mentions the following:

Four palladium(II) complexes with tripodal ligands of the tpa family (tpa = tris(2-pyridylmethyl)amine) was synthesized and X-ray characterized. These complexes efficiently catalyzed benzylic C-H oxidation of various substrates with peracetic acid, affording the corresponding ketones in high yields (up to 100%), at < 1 mol% catalyst loadings. Complex [(tpa)Pd(OAc)](PF₆) with the least sterically demanding ligand tpa demonstrated the highest substrate conversions and ketone selectivities. Preliminary mechanistic data provided evidence in favor of metal complex-mediated rate-limiting benzylic C-H bond cleavage by an electron-deficient oxidant. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Synthetic Route of C7H9NO).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Synthetic Route of C7H9NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Efficient Synthesis of (R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045 was written by Shang, Yue-Peng;Chen, Qi;Kong, Xu-Dong;Zhang, Yu-Jun;Xu, Jian-He;Yu, Hui-Lei. And the article was included in Advanced Synthesis & Catalysis in 2017.Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

By enzyme screening, a ketoreductase cloned from Scheffersomyces stipitis CBS 6045 and named SsCR was identified that could catalyze the asym. hydrogenation of a variety of aromatic ketones. SsCR exhibited a specific activity of 65 U mg^-1 protein and excellent enantioselectivity (99.9% ee) towards the hydrophobic substrate 2-chloro-1-(2,4-dichlorophenyl)ethanone, which is an intermediate in the synthesis of common antifungal agents such as miconazole, econazole and sertaconazole. The kinetic parameter k_cat/K_m was 4.51×10³ s^-1 mM^-1, showing the great catalytic efficiency of SsCR towards this substrate. Mol. dynamic simulation results shed light on the higher substrate binding free energy change for this substrate relative to other substrates. Based on the good catalytic properties of SsCR, (R)-2-chloro-1-(2,4-dichlorophenyl)ethanol could be obtained with a space-time yield (STY) of up to 268 g L^-1 d^-1 without any addnl. cofactor required in the reductive reaction process. On scaling up the bioreaction, the (R)-alc. was isolated with 88.2% yield and 99.9% ee. The environmental factor (E factor) of this reaction was 7.25 when process water was excluded. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Design, Synthesis, Fungicidal Activity, and Unexpected Docking Model of the First Chiral Boscalid Analogues Containing Oxazolines was written by Li, Shengkun;Li, Dangdang;Xiao, Taifeng;Zhang, ShaSha;Song, Zehua;Ma, Hongyu. And the article was included in Journal of Agricultural and Food Chemistry in 2016.SDS of cas: 5856-63-3 This article mentions the following:

Chirality greatly influences a pesticide’s biol. and pharmacol. properties, and will contribute to unnecessary environment loading and undesired ecol. impact. No structure and activity relationship (SAR) of enantiopure succinate dehydrogenase inhibitors (SDHIs) were documented during the structure optimization of boscalids. Based on com. SDHIs, oxazoline natural products and versatile oxazoline ligands in organic synthesis, the first effort was devoted to explore the chiral SDHIs and the preliminary mechanism thereof. Fine-tuning furnished chiral nicotinamides I as a more promising fungicidal candidate against Rhizoctonia solani, Botrytis cinerea and Sclerotinia sclerotiorum, with EC₅₀ values of 0.58, 0.42 and 2.10 mg/L, resp. In vivo bioassay and mol. docking were investigated to explore the potential in practical application and plausible novelty in action mechanism, resp. The unexpected mol. docking model showed the differently chiral effect on the binding site with the amino acids residues. This chiral nicotinamides also featured easy synthesis and cost-efficacy. It will provide a powerful complement to the com. SDHI fungicides with the introduction of chirality. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3SDS of cas: 5856-63-3).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.SDS of cas: 5856-63-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

LC-HRMS based method for suspect/non-targeted screening for biomarkers of chemical exposure in human urine was written by Tkalec, Ziga;Codling, Garry;Klanova, Jana;Horvat, Milena;Kosjek, Tina. And the article was included in Chemosphere in 2022.Computed Properties of C4H10O4 This article mentions the following:

Every day we are exposed to a cocktail of anthropogenic compounds many of which are biol. active and capable of inducing neg. effects. The simplest way to monitor contaminants in a population is via human biomonitoring (HBM), however conventional targeted approaches require foreknowledge of chems. of concern, often have compound specific extractions and provide information only for those compounds This study developed an extraction process for human biomarkers of interest (BoE) in urine that is less compound specific. Combining this with an ultra-high resolution mass spectrometer capable of operating in full scan, and a suspect and non-targeted anal. (SS/NTA) approach, this method provides a more holistic characterization of human exposure. Sample preparation development was based on enzymically hydrolyzed urine spiked with 34 native standards and extracted by solid-phase extraction (SPE). HRMS data was processed by MzMine2 and 80% of standards were identified in the final data matrix using typical NTA data processing procedures. In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Computed Properties of C4H10O4).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Discovery of a novel and potent series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases was written by Claridge, Stephen;Raeppel, Franck;Granger, Marie-Claude;Bernstein, Naomy;Saavedra, Oscar;Zhan, Lijie;Llewellyn, David;Wahhab, Amal;Deziel, Robert;Rahil, Jubrail;Beaulieu, Normand;Nguyen, Hannah;Dupont, Isabelle;Barsalou, Annie;Beaulieu, Carole;Chute, Ian;Gravel, Serge;Robert, Marie-France;Lefebvre, Sylvain;Dubay, Marja;Pascal, Roussen;Gillespie, Jeff;Jin, Zhiyun;Wang, James;Besterman, Jeffrey M.;MacLeod, A. Robert;Vaisburg, Arkadii. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2008.Application In Synthesis of Thieno[3,2-b]pyridin-7-ol This article mentions the following:

A series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases is described. The compounds demonstrated potency with IC₅₀ values in the low nanomolar range in vitro while the lead compound also showed in vivo activity against various human tumor xenograft models in mice. Further exploration of this class of compounds is underway. In the experiment, the researchers used many compounds, for example, Thieno[3,2-b]pyridin-7-ol (cas: 107818-20-2Application In Synthesis of Thieno[3,2-b]pyridin-7-ol).

Thieno[3,2-b]pyridin-7-ol (cas: 107818-20-2) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Application In Synthesis of Thieno[3,2-b]pyridin-7-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A novel o-nitrobenzyl-based photocleavable antitumor prodrug with the capability of releasing 5-fluorourail was written by Mo, Shuli;Wen, Ying;Xue, Fengfeng;Lan, Haichuang;Mao, Yueyuan;Lv, Guanglei;Yi, Tao. And the article was included in Science Bulletin in 2016.Name: 3-(Hydroxymethyl)-4-nitrophenol This article mentions the following:

An o-nitrobenzyl-based photocleavable antitumor prodrug with a terminal carboxyl group was designed and synthesized. The photolysis properties of the prodrug were investigated by means of ¹H NMR, HPLC, UV, and MTT methods. The results showed that the toxicity of the anticancer drug was effectively shielded before release. However, the prodrug effectively regained the antitumor capability against cancer cells by release of 5-fluorouracil when it was exposed to UV irradiation In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Name: 3-(Hydroxymethyl)-4-nitrophenol).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Name: 3-(Hydroxymethyl)-4-nitrophenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Identification of key aroma-active compounds in beef tallow varieties using flash GC electronic nose and GC x GC-TOF/MS was written by Wang, Jing;Chen, Le;Liu, Ying;Olajide, Tosin Michael;Jiang, Yuanrong;Cao, Wenming. And the article was included in European Food Research and Technology in 2022.Application of 3391-86-4 This article mentions the following:

To uncover the integral flavor characteristics and individual odor active compounds in tallow derived from different beef fats: inguinal (IF), omental (OF), and perirenal fats (PF), we used flash GC electronic nose (flash GC E-nose) to analyze and characterize the samples. GC x GC-TOF/MS identified and quantified 195 volatile compounds with significant differences amongst the three kinds of fats. There were 45 important odorants (ROAV > 0.1) containing 23 key odorants (ROAV > 1), of which 43, 34, 35 important odorants were found in IF, OF, and PF, resp. Our results showed that the key odorants overall probably contribute to a fatty and sweat acid smell in IF, a meaty and slightly sweet taste in OF, and sweetness and slightly meaty taste in PF. Elucidating the distribution of key odorants in beef tallow from different parts of animals could provide a scientific basis for formulating and selecting raw materials of high-quality beef tallow flavor products. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Application of 3391-86-4).

Oct-1-en-3-ol (cas: 3391-86-4) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Application of 3391-86-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Investigation of the relationship between microbiota dynamics and volatile changes in chilled beef steaks held under high-oxygen packaging enriched in carbon dioxide was written by Yang, Jun;Yang, Xiaoyin;Lin, Hai;Liang, Rongrong;Niu, Lebao;Zhu, Lixian;Luo, Xin;Hopkins, David L.;Zhang, Yimin. And the article was included in Meat Science in 2022.Related Products of 3391-86-4 This article mentions the following:

Carbon dioxide (CO2) plays an important bacteriostatic role in high-oxygen modified atm. packaging (HiOx-MAP). This study aimed to explore the influence of CO2 on the volatile organic compounds (VOCs) profile in HiOx-MAP beef steaks and assess the changes in VOCs associated with microbiota dynamics during 20-days of chilled storage. Compared to control MAP (CMAP: 50% O2/50% N2), CO2-enriched MAP (TMAP: 50% O2/40% CO2/10% N2) rendered steaks with desirable appearance and odor freshness during storage through inhibiting bacterial growth and reducing the accumulation of acetoin, 2-ethyl-1-hexanol, 1,3-butanediol, diacetyl and 2-heptanone (P < 0.05). 1-Octen-3-ol and 2-ethyl-1-hexanol were main VOCs in TMAP steaks and were pos. related to Brochothrix thermosphacta levels. Acetoin and 2-ethyl-1-hexanol could be used as potential spoilage indicators in CMAP steaks, which were pos. related to B. thermosphacta and Pseudomonas levels. Overall, the desirable odor freshness of TMAP steaks was mainly attributed to the CO2-inhibitory effect on the off-odor VOCs production correlated with B. thermosphacta, Pseudomonas and Serratia growth. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Related Products of 3391-86-4).

Oct-1-en-3-ol (cas: 3391-86-4) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Related Products of 3391-86-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts