Tag: M.W=150-200

Zaitsu, Kei published the artcileMetabolomics and Data-Driven Bioinformatics Revealed Key Maternal Metabolites Related to Fetal Lethality via Di(2-ethylhexyl)phthalate Exposure in Pregnant Mice, Recommanded Product: 3-Hydroxyphenylacetic acid, the publication is ACS Omega (2022), 7(27), 23717-23726, database is CAplus and MEDLINE.

We performed serum metabolome anal. of di(2-ethylhexyl)phthalate (DEHP)-exposed and control pregnant mice. Pregnant mice (n = 5) were fed a DEHP-containing diet (0.1% or 0.2% DEHP) or a normal diet (control) from gestational days 0-18. After maternal exposure to 0.2% DEHP there were no surviving fetuses, indicating its strong fetal lethality. There were no significant differences in the numbers of fetuses and placentas between the 0.1% DEHP and control groups, although fetal viability differed significantly between them, suggesting that maternal exposure to 0.1% DEHP could inhibit fetal growth. Metabolomics successfully detected 169 metabolites in serum. Principal component anal. (PCA) demonstrated that the three groups were clearly separated on PCA score plots. The biol. interpretation of PC1 was fetal lethality, whereas PC2 meant metabolic alteration of pregnant mice via DEHP exposure without fetal lethality. In particular, the first component was significantly correlated with fetal viability, demonstrating that maternal metabolome changes via DEHP exposure were strongly related to fetal lethality. Levels of some amino acids were significantly increased in the DEHP-exposed groups, whereas those of some fatty acids, nicotinic acid, and 1,5-anhydroglucitol were significantly decreased in the DEHP groups. DEHP-induced increases in glycine levels could cause fetal neurol. disorders, and decreases in nicotinic acid could inhibit fetal growth. In addition, a machine-learning Random forest could determine 16 potential biomarkers of DEHP exposure, and data-driven network anal. revealed that nicotinic acid was the most influential hub metabolite in the metabolic network. These findings will be useful for understanding the effects of DEHP on the maternal metabolome in pregnancy and their relationship to fetal lethality.

ACS Omega published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C4Br2N2O4S, Recommanded Product: 3-Hydroxyphenylacetic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lenca, Nicole published the artcileEstimation of descriptors for hydrogen-bonding compounds from chromatographic and liquid-liquid partition measurements, Application In Synthesis of 122-20-3, the publication is Journal of Chromatography A (2017), 13-22, database is CAplus and MEDLINE.

Retention factors obtained by gas chromatog. and reversed-phase liquid chromatog. on varied columns and partition constants in different liquid-liquid partition systems were used to estimate WSU descriptor values for 36 anilines and N-heterocyclic compounds, 13 amides and related compounds, and 45 phenols and alcs. These compounds are suitable for use as calibration compounds to characterize separation systems covering the descriptor space E = 0.2-3, S = 0.4-2.1, A = 0-1.5, B = 0.1-1.5, L = 2.5-10.0 and V = 0.5-2.2. Hydrogen-bonding properties are discussed in terms of structure, the possibility of induction effects, intramol. hydrogen bonding and steric factors for anilines, amides, phenols and alcs. The relation between these parameters and observed descriptor values are difficult to predict from structure but facilitate improving the general occupancy of the descriptor space by creating incremental changes in hydrogen-bonding properties. It is verified that the compounds included in this study can be merged with an existing database of compounds recommended for characterizing separation systems.

Journal of Chromatography A published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C9H21NO3, Application In Synthesis of 122-20-3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Harrison, Lee A. published the artcileIdentification of a Series of N-Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins, HPLC of Formula: 6346-09-4, the publication is Journal of Medicinal Chemistry (2021), 64(15), 10742-10771, database is CAplus and MEDLINE.

Domain-specific BET bromodomain ligands represent an attractive target for drug discovery with the potential to unlock the therapeutic benefits of antagonizing these proteins without eliciting the toxicol. aspects seen with pan-BET inhibitors. While we have reported several distinct classes of BD2 selective compounds, namely, GSK620, GSK549, and GSK046, only GSK046 shows high aqueous solubility Herein, we describe the lead optimization of a further class of highly soluble compounds based upon a picolinamide chemotype. Focusing on achieving >1000-fold selectivity for BD2 over BD1, while retaining favorable phys. chem. properties, compound 36 was identified as being 2000-fold selective for BD2 over BD1 (Brd4 data) with >1 mg/mL solubility in FaSSIF media. 36 Represents a valuable new in vivo ready mol. for the exploration of the BD2 phenotype.

Journal of Medicinal Chemistry published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, HPLC of Formula: 6346-09-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lucas, Simon C. C. published the artcileOptimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors, Category: alcohols-buliding-blocks, the publication is Journal of Medicinal Chemistry (2021), 64(15), 10711-10741, database is CAplus and MEDLINE.

Herein, a series of 2,3-dihydrobenzofurans have been developed as highly potent bromo and extra-terminal domain (BET) inhibitors with 1000-fold selectivity for the second bromodomain over the first bromodomain. Investment in the development of two orthogonal synthetic routes delivered inhibitors that were potent and selective but had raised in vitro clearance and suboptimal solubility Insertion of a quaternary center into the 2,3-dihydrobenzofuran core blocked a key site of metabolism and improved the solubility This led to the development of inhibitor I (GSK852): a potent, 1000-fold-selective, highly soluble compound with good in vivo rat and dog pharmacokinetics.

Journal of Medicinal Chemistry published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Preston, Alex published the artcileGSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family, Synthetic Route of 6346-09-4, the publication is ACS Medicinal Chemistry Letters (2020), 11(8), 1581-1587, database is CAplus and MEDLINE.

Pan-BET inhibitors have shown profound efficacy in a number of in vivo preclin. models and have entered the clinic in oncol. trials where adverse events have been reported. These inhibitors interact equipotently with the eight bromodomains of the BET family of proteins. To better understand the contribution of each domain to their efficacy and to improve from their safety profile, selective inhibitors are required. This Letter discloses the profile of GSK973, a highly selective inhibitor of the second bromodomains of the BET proteins that has undergone extensive preclin. in vitro and in vivo characterization.

ACS Medicinal Chemistry Letters published new progress about 6346-09-4. 6346-09-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Ether, name is 4,4-Diethoxybutan-1-amine, and the molecular formula is C8H19NO2, Synthetic Route of 6346-09-4.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Rovnyak, George C. published the artcileDihydropyrimidine calcium channel blockers. 4. Basic 3-substituted-4-aryl-1,4-dihydropyrimidine-5-carboxylic acid esters. Potent antihypertensive agents, Product Details of C10H15NO, the publication is Journal of Medicinal Chemistry (1992), 35(17), 3254-63, database is CAplus and MEDLINE.

A series of novel dihydropyrimidine calcium channel blockers that contain a basic group attached to either C(5) or N(3) of the heterocyclic ring has been examined Structure-activity studies show that a 1-(phenylmethyl)-4-piperidinyl carbamate moiety at N(3) and sulfur at C(2) are optimal for vasorelaxant activity in vitro and impart potent and long-acting antihypertensive activity in vivo. One of the title compounds was identified as a lead, and the individual enantiomers (R)- and (S)-I were synthesized. Two key steps of the synthesis were the efficient separation of their diastereomeric ureido derivatives and the high-yield transformation of 2-methoxy intermediates into 2-(p-methoxybenzyl)thio intermediates. Chirality was demonstrated to be a significant determinant of biol. activity, with the dihydropyridine receptor recognizing the enamino ester moiety (R)-I but not the carbamate moiety (S)-I. Dihydropyrimidine (R)-I is equipotent to nifedipine and amlodipine in vitro. In the spontaneously hypertensive rat, (R)-I is both more potent and longer acting than nifedipine and compares most favorably with the long-acting dihydropyridine derivative amlodipine. (R)-I has the potential advantage of being a single enantiomer.

Journal of Medicinal Chemistry published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C10H15NO, Product Details of C10H15NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Vu, Thu Ha Thi published the artcileEsterification of 2-keto-L-gulonic acid catalyzed by a solid heteropoly acid, HPLC of Formula: 526-98-7, the publication is Catalysis Science & Technology (2013), 3(3), 699-705, database is CAplus.

The efficacy of a potassium 12-phosphotungstate (KPW) catalyst in the synthesis of Me 2-keto-L-gulonate from 2-keto-L-gulonic acid (2-KLGA) and methanol is investigated. The KPW catalyst gives high yields in short reaction times. The present procedure represents a clean, efficient, practical, simple, mild, time-saving and eco-friendly method for the synthesis of Me 2-keto-L-gulonate. The KPW catalyst is found to be a truly heterogeneous catalyst, highly efficient and reusable in the synthesis of Me 2-keto-L-gulonate.

Catalysis Science & Technology published new progress about 526-98-7. 526-98-7 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Other Sugar Units, name is (3S,4R,5S)-3,4,5,6-Tetrahydroxy-2-oxohexanoic acid, and the molecular formula is C2H4ClNO, HPLC of Formula: 526-98-7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Di Francesco, A. published the artcileApple pathogens: Organic essential oils as an alternative solution, Quality Control of 106-25-2, the publication is Scientia Horticulturae (Amsterdam, Netherlands) (2022), 111075, database is CAplus.

Fusarium avenaceum, Botrytis cinerea, Penicillium expansum, and Neofabraea vagabunda, represent postharvest diseases which cause significant apple losses. The aim of this study was therefore to evaluate the effects of organic essential oils (EOs) (Thymus vulgaris, Lavandula angustifolia, Rosmarinus officinalis) against apple pathogens both in vitro and in vivo, as an integrated management tool. By GC-MS anal. a total of 101 compounds principally belonging to the groups of terpenes and terpenoids were detected in the extracted EOs. In vitro results showed T. vulgaris as the most active EO, both as agar infusion or biofumigant. Through agar infusion, starting from the lowest concentration (0.2 mL L-1), T. vulgaris reduced by 74.9%, 86.1%, 66.9%, and 45.7% F. avenaceum, B. cinerea, P. expansum, and N. vagabunda mycelial growth, resp.; as biofumigant, it completely inhibited the growth of all the tested mycelial pathogens. Application of EOs on apples through dipping treatment displayed some potential to inhibit the above-mentioned pathogens, especially by T. vulgaris and L. angustifolia. The efficacy of these organic EOs is probably strictly correlated to the chem. composition

Scientia Horticulturae (Amsterdam, Netherlands) published new progress about 106-25-2. 106-25-2 belongs to alcohols-buliding-blocks, auxiliary class Natural product, name is cis-3,7-Dimethyl-2,6-Octadien-1-Ol, and the molecular formula is C10H18O, Quality Control of 106-25-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ge, Jian-Feng published the artcileSynthesis and in Vitro Antiprotozoal Activities of Water-Soluble, Inexpensive 3,7-Bis(dialkylamino)phenoxazin-5-ium Derivatives, Formula: C10H13NO2, the publication is Journal of Medicinal Chemistry (2008), 51(12), 3654-3658, database is CAplus and MEDLINE.

3,7-Bis(dialkylamino)phenoxazinium salts, e.g. I (R = Me, Et, n-Pr, X = O, S), were synthesized and evaluated for in vitro activities against Plasmodium falciparum, Trypanosoma cruzi, T. brucei rhodesiense, and Leishmania donovani. Notably, the compounds showed potent antiprotozoal activities, especially against P. falciparum and T. cruzi. The compounds with alkyl side chains less than three carbons in length possessed good activities with high selective indexes.

Journal of Medicinal Chemistry published new progress about 27292-49-5. 27292-49-5 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Benzene,Phenol, name is 3-Morpholinophenol, and the molecular formula is C10H13NO2, Formula: C10H13NO2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ge, Jian-Feng published the artcileThe convenient synthesis of zinc chloride-free 3,7-bis(dialkylamino)phenoxazinium salts, Related Products of alcohols-buliding-blocks, the publication is Dyes and Pigments (2008), 79(1), 33-39, database is CAplus.

Zinc chloride-free 3,7-bis(dialkylamino)phenoxazinium salts carrying different anions (chloride, bromide, hydrosulfate, tosylate, perchlorate and nitrate) were synthesized in yields up to 84%. Their structures were determined by spectroscopy and elemental analyses.

Dyes and Pigments published new progress about 27292-49-5. 27292-49-5 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Benzene,Phenol, name is 3-Morpholinophenol, and the molecular formula is C10H13NO2, Related Products of alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts