Author: tianli

Xia, Ziming published the artcileCopper-catalyzed domino intramolecular cyclization: a facile and efficient approach to polycyclic indole derivatives, Formula: C8H5F3O3, the publication is Organic & Biomolecular Chemistry (2012), 10(8), 1602-1611, database is CAplus and MEDLINE.

A mild and efficient Cu₂O-catalyzed domino intramol. C-N coupling/C-Y (Y = O, S, N) bond formation was successfully achieved. Thus oxazino[3,2-a]indole, thiazino[3,2-a]indole and indolo[2,1-b]quinazoline derivatives were facilely assembled from readily accessible gem-dibromovinyl systems. The protocol is general and practical, affording a variety of the indole-incorporated products in good to excellent yields even under air atm.

Organic & Biomolecular Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C7H14N4, Formula: C8H5F3O3.

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

Obst, Jon K. published the artcileRevealing Metabolic Liabilities of Ralaniten To Enhance Novel Androgen Receptor Targeted Therapies, Safety of (R)-Oxiran-2-ylmethanol, the publication is ACS Pharmacology & Translational Science (2019), 2(6), 453-467, database is CAplus and MEDLINE.

Inhibition of the androgen receptor (AR) is the mainstay treatment for advanced prostate cancer. Ralaniten (formally EPI-002) prevents AR transcriptional activity by binding to its N-terminal domain (NTD) which is essential for transcriptional activity. Ralaniten acetate (EPI-506) the triacetate pro-drug of ralaniten, remains the only AR-NTD inhibitor to have entered clin. trials (NCT02606123). While well tolerated, the trial was ultimately terminated due to poor pharmacokinetic properties and resulting pill burden. Here we discovered that ralaniten was glucuronidated which resulted in decreased potency. Long-term treatment of prostate cancer cells with ralaniten results in upregulation of UGT2B enzymes with concomitant loss of potency. This has proven to be a useful model with which to facilitate the development of more potent second-generation AR-NTD inhibitors. Glucuronidated metabolites of ralaniten were also detected in the serum of patients in Phase 1 clin. trials. Therefore, we tested an analog of ralaniten (EPI-045) which was resistant to glucuronidation and demonstrated superiority to ralaniten in our resistant model. These data support that analogs of ralaniten designed to mitigate glucuronidation may optimize clin. responses to AR-NTD inhibitors.

ACS Pharmacology & Translational Science published new progress about 57044-25-4. 57044-25-4 belongs to alcohols-buliding-blocks, auxiliary class Epoxides,Chiral,Aliphatic hydrocarbon chain,Alcohol, name is (R)-Oxiran-2-ylmethanol, and the molecular formula is C3H6O2, Safety of (R)-Oxiran-2-ylmethanol.

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

Xu, Xi published the artcileStructure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site, SDS of cas: 621-37-4, the publication is Journal of Medicinal Chemistry (2021), 64(8), 4588-4611, database is CAplus and MEDLINE.

The inhibition of glutaminase 1 (GLS1) represents a potential treatment of malignant tumors. Structural anal. led to the design of a novel series of macrocyclic GLS1 allosteric inhibitors. Through extensive structure-activity relationship studies, a promising candidate mol. 13b (LL202) was identified with robust GLS1 inhibitory activity (IC₅₀ = 6 nM) and high GLS1 binding affinity (SPR, K_d = 24 nM; ITC, K_d = 37 nM). The X-ray crystal structure of the 13b-GLS1 complex was resolved, revealing a unique binding mode and providing a novel structural scaffold for GLS1 allosteric inhibitors. Importantly, 13b clearly adjusted the cellular metabolites and induced an increase in the ROS level by blocking glutamine metabolism Furthermore, 13b exhibited a similar in vivo antitumor activity as CB839. This study adds to the growing body of evidence that macrocyclization provides an alternative and complementary approach for the design of small-mol. inhibitors, with the potential to improve the binding affinity to the targets.

Journal of Medicinal Chemistry 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 C20H17FO4S, SDS of cas: 621-37-4.

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

Ge, Jie published the artcileApplication of an LC-MS/MS Method to a Urinary Excretion Study of Triflusal and its Main Metabolite 2-hydroxy-4-trifluoromethyl Benzoic Acid in Human Urine, Application of 2-Hydroxy-4-(trifluoromethyl)benzoic acid, the publication is Current Pharmaceutical Analysis (2020), 16(3), 328-334, database is CAplus.

Objective: A validated liquid chromatog.-tandem mass spectrometry method (LCMS/ MS) was established to simultaneously determine the concentration of triflusal and its main metabolite 2-hydroxy-4-trifluoromethyl benzoic acid(HTB) in human urine. Methods: The separation was performed on a Dikma C18 column using isocratic elution with acetonitrile-4 mmol/L ammonium acetate aqueous solution containing 0.3% formic acid water (78: 28, V/V). The method involved extraction with methanol using protein precipitation The precursor-to product ion transitions with multiple reaction monitoring was m/z 247.1→161.1, 204.8→106.7and 136.9→93.0 for triflusal, HTB and salicylic acid(IS), resp. The method showed good linear relationships over the ranges of 0.08 to 48μg/mL and 0.5 to 50μg/mL. Results: It was the first time that a urinary excretion study of triflusal capsule as oral. The cumulative urinary recovery showed 8.5% and 2.7% for triflusal and HTB, resp. Conclusion: This method was successfully used for evaluating the pharmacokinetic properties of triflusal and HTB in urine in Chinese healthy subjects.

Current Pharmaceutical Analysis published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Application of 2-Hydroxy-4-(trifluoromethyl)benzoic acid.

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

Yin, Yue published the artcileClinical analysis of Hemabate combined with oxytocin for prevention of postpartum hemorrhage after cesarean section in high-risk parturients, Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, the publication is Xiandai Zhenduan Yu Zhiliao (2017), 28(8), 1407-1408, database is CAplus.

To observe the prevention and safety effect and safety of Hemabate combined with oxytocin on postpartum hemorrhage of cesarean women with high risk factors of postpartum hemorrhage. The 240 pregnant women undergoing cesarean section with high risk factors of postpartum hemorrhage, such as uterine weakness, placenta previa, twin pregnancy, giant fetus, polyhydramnios, scarred uterus, etc., were selected as the research subjects, and they were randomly divided into observation group and 120 cases in each control group. In the control group, oxytocin 20U was injected i.v. after the fetus was delivered to prevent postpartum hemorrhage, and the observation group was combined with the control group with 250 μg deep i.m. injection of Hemabate. We observed and compared the bleeding volume and the incidence of postpartum hemorrhage and adverse reactions during cesarean section, 2h postpartum and 24h postpartum between the two groups. In the observation group, the average blood loss at 2h and 24h after delivery was significantly lower than that in the control group (P < 0.05). The incidence of postpartum hemorrhage in the observation group was 1.67% significantly lower than 11.67% in the control group (P < 0.05). There were 16 cases of postpartum adverse reactions in the observation group, the symptoms were mild and alleviated spontaneously. For pregnant women undergoing cesarean section with high risk factors for postpartum hemorrhage. The preventive use of Hemabate significantly reduces the amount of intraoperative and postpartum hemorrhage, reduces the incidence of postpartum hemorrhage, and the medication is safe, convenient and effective.

Xiandai Zhenduan Yu Zhiliao published new progress about 58551-69-2. 58551-69-2 belongs to alcohols-buliding-blocks, auxiliary class Chiral,Alkenyl,Amine,Aliphatic cyclic hydrocarbon,Ester,Alcohol,Inhibitor,, name is 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid, and the molecular formula is C10H10CoF6P, Name: 2-Amino-2-(hydroxymethyl)propane-1,3-diol (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acid.

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

Cui, Feng-xia published the artcileLiquor recovery process for vitamin C, COA of Formula: C6H10O7, the publication is Xiandai Huagong (2014), 34(3), 67-70, 72, database is CAplus.

A liquor recovery process for crystallization mother liquor of vitamin C is developed with the recovery of 2-keto-L-Gu salt as a process parameter. According to the characteristics of the mother liquor of vitamin C, vitamin C and 2-keto-L-Gu salt can be generated by adding a base to the mother liquor. Then, 2-keto-L-Gu salts and a sodium salt solution of vitamin C can be obtained by filtrating off 2-keto-L-Gu salt based on the different solubility The influences of proportion of a concentrated salt solution, the precipitation temperature and time on the recovery of 2-keto-L-Gu salt are investigated. The recovery of 2-keto-L-Gu salt can reach above 89.5% and the total yield of vitamin C is above 3% under the following conditions: 50% of optimal proportion of concentrate, 15°C of precipitation temperature and 6.5 h of precipitation time. The product quality can meet the standards, which indicates that the liquor recovery process can bring high economic efficiency and is worth promoting the industrial production

Xiandai Huagong 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 C6H10O7, COA of Formula: C6H10O7.

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

Tao, Xueqin published the artcileInteractions between polycyclic aromatic hydrocarbons (PAHs)-degrading strain Sphingomonas sp. GY2B and nano bamboo charcoal, Formula: C11H8O3, the publication is Desalination and Water Treatment (2021), 221-228, database is CAplus.

As the global consumption of engineered nanomaterials such as nano bamboo charcoal (NBC) steadily increases, so does the potential for their release into the environment through human activity. In this study, the aggregation and dispersion of NBC, and its effect on GY2B, a polycyclic aromatic hydrocarbons (PAHs)-degrading strain of Sphingomonas sp., were investigated. Results showed that NBC aggregation was affected by both its concentration and GY2B, while the zeta potential of NBC was mainly influenced by GY2B and less so by its concentration With the addition of NBC, the biodegradation rate of phenanthrene was enhanced while GY2B growth was inhibited initially, however, cell growth inhibition was attenuated and eliminated with NBC aggregation and sedimentation which adsorbed toxic metabolites, such as 1-hydroxy-2-naphthoic acid, eventually resulting in more favorable conditions. This work indicates that NBC has the potential to be used in environmental remediation.

Desalination and Water Treatment published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C28H29NO4, Formula: C11H8O3.

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

Liu, Junfeng published the artcileMannosylated PEGylated-Polyethyleneimine as efficient CpG oligodeoxynucleotide carriers for efficient dendritic cell targeting delivery and activation, Name: (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol, the publication is Journal of Biomedical Nanotechnology (2019), 15(7), 1454-1467, database is CAplus and MEDLINE.

CpG ODN acts as a ′pathogen-associated′ mol. pattern that is recognized by intracellular Toll-like receptor 9 and can induce a robust dendritic cells (DCs) activation to against various diseases. However, the CpG ODN is restricted with critical defects of easily enzymolysis and negligible phagocytosis. To overcome these issues, a simpler and competent nanocarrier of mannose modified PEGylated branched PEI₂₅k (PEI-PEG-Man) was designed to achieve excellent DCsspecific delivery of CpG. Nanoparticles of PEI-PEG-Man encapsulating CpG (PEI-PEG-Man@CpG) possessed elevated gene loading capacity, biol. stability and admirable anti-enzymolysis ability. PEI-PEG-Man@CpG could be selectively uptake by DCs through a receptor-mediated endocytosis, which generates a potent immunostimulatory activity on bone marrow derived dendritic cells (BMDCs) evidenced by significantly upregulation of the pro and anti-inflammatory cytokines (TNF-α, IL-6) and the co-stimulatory mols. (CD40, CD80, CD86, and MHC class II) on BMDCs in vitro. More importantly, the results of in vivo targeting assay showed that PEI-PEG-Man@CpG nanoparticles could remarkably boost CpG accumulation in lymph lodes upon s.c. administration in C57BL/6 mice, which facilitated maturation of DCs and productions of anti-inflammatory cytokines. Our results suggested that PEI-PEG-Man@CpG nanoparticles, in the future, might function as a powerful vector for ex vivo engineering to promote DC targeting and maturation, which enhance vaccine efficiency against cancer or infectious disease.

Journal of Biomedical Nanotechnology published new progress about 96345-79-8. 96345-79-8 belongs to alcohols-buliding-blocks, auxiliary class Sugar Units,Gal and Man, name is (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol, and the molecular formula is C13H15NO6S, Name: (2R,3S,4S,5S,6R)-2-(Hydroxymethyl)-6-(4-isothiocyanatophenoxy)tetrahydro-2H-pyran-3,4,5-triol.

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

Yang, Pan published the artcileExposure profiles and predictors of a cocktail of environmental chemicals in Chinese men of reproductive age, Formula: C12H10O4S, the publication is Chemosphere (2022), 134337, database is CAplus and MEDLINE.

Personal care products, such as additives, have raised widespread concerns about the potential threat to male reproductive health. The spermatogenesis in humans lasts for approx. 90 days, the average levels of these chems. remain unclear during spermatogenesis. In our study, we pooled urine samples from each man during the days of 1-15, 16-31, 32-63, and ≥64, and examined exposure to 48 typical additive chems. By principal component anal. (PCA), k-means clustering, and Spearman’s rank correlations, we then identified 6 PC scores and 4 clusters based on profiles of these chems. Some industrial, com. or structural similar chems. (e.g., phthalates) were significantly correlated compared to unrelated chems. (e.g., benzophenone). PCA scores were associated with individual lifestyles (e.g., household income, tea consumption, and drinking tap water). Distinct exposure components and exposure patterns of personal care products may help the reproductive health assessment of men. We suggested more concerns for widespread exposure to these chems. for men.

Chemosphere published new progress about 80-09-1. 80-09-1 belongs to alcohols-buliding-blocks, auxiliary class Ploymers, name is 4,4′-Sulfonyldiphenol, and the molecular formula is C8H10O2, Formula: C12H10O4S.

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

Xing, Wei-Long published the artcileEfficient Decarboxylative/Defluorinative Alkylation for the Synthesis of gem-Difluoroalkenes through an S_N2′ Type Route, Name: ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, the publication is Chinese Journal of Chemistry (2022), 40(3), 323-328, database is CAplus.

An efficient decarboxylative/defluorinative alkylation for synthesizing gem-difluoroalkenes F₂C:CRCH₂CR¹R²R³ [R = 4-PhC₆H₄, naphthalen-2-yl, 1-methyl-1H-indol-5-yl, etc.; R¹ = H, Me, Et; R² = H, Me, Et, Ph, etc.; R¹R² = (CH₂)₃; R³ = Ph, CN, COOEt, etc.] is described, providing a general method for installation of the challenging alkyl fragments containing γ-electron-withdrawing groups into γ-trifluoromethyl alkenes RC(CF₃):CH₂. Mechanistic studies suggest that this process involves an S_N2′-type synthetic route in the absence of transition-metal catalysts or photocatalysis. Moreover, this protocol can easily be scaled up, and successfully applied to the modification of biol. active mols., thus complementing methodologies that give access to structurally versatile gem-difluoroalkenes.

Chinese Journal of Chemistry published new progress about 20880-92-6. 20880-92-6 belongs to alcohols-buliding-blocks, auxiliary class Other Aliphatic Heterocyclic,Chiral,Alcohol, name is ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol, and the molecular formula is C14H12O3, Name: ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol.

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