Author: tianli

Shamim, Khalida published the artcileApplication of niclosamide and analogs as small molecule inhibitors of Zika virus and SARS-CoV-2 infection, Quality Control of 86-48-6, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 127906, database is CAplus and MEDLINE.

Zika virus has emerged as a potential threat to human health globally. A previous drug repurposing screen identified the approved anthelminthic drug niclosamide as a small mol. inhibitor of Zika virus infection. However, as antihelminthic drugs are generally designed to have low absorption when dosed orally, the very limited bioavailability of niclosamide will likely hinder its potential direct repurposing as an antiviral medication. Here, we conducted SAR studies focusing on the anilide and salicylic acid regions of niclosamide to improve physicochem. properties such as microsomal metabolic stability, permeability and solubility We found that the 5-bromo substitution in the salicylic acid region retains potency while providing better drug-like properties. Other modifications in the anilide region with 2′-OMe and 2′-H substitutions were also advantageous. We found that the 4′-NO₂ substituent can be replaced with a 4′-CN or 4′-CF₃ substituents. Together, these modifications provide a basis for optimizing the structure of niclosamide to improve systemic exposure for application of niclosamide analogs as drug lead candidates for treating Zika and other viral infections. Indeed, key analogs were also able to rescue cells from the cytopathic effect of SARS-CoV-2 infection, indicating relevance for therapeutic strategies targeting the COVID-19 pandemic.

Bioorganic & Medicinal Chemistry Letters 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 C10H11ClO2S, Quality Control of 86-48-6.

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

Jiang, Wei-Tao published the artcileAlkylation-Terminated Catellani Reactions Using Alkyl Carbagermatranes, Computed Properties of 20880-92-6, the publication is Angewandte Chemie, International Edition (2020), 59(46), 20450-20454, database is CAplus and MEDLINE.

The Catellani reaction has received substantial attention because it enables rapid multiple derivatization on aromatics While using alkyl electrophiles to achieve ortho-alkylation was one of the earliest applications of the Catellani reaction, ipso-alkylation-terminated reactions with β-H-containing reactants has not been realized to date. Herein, we report alkylation-terminated Catellani reaction using alkyl carbagermatranes (abbreviated as alkyl-Ge) as nucleophiles. The reactivity of alkyl-Ge and alkyl-B(OH)₂ in this reaction is discussed. This approach enables efficient dialkylation with β-H-containing reactants, which was previously inaccessible by Catellani reactions.

Angewandte Chemie, International Edition 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 C12H20O6, Computed Properties of 20880-92-6.

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

Guo, Gao-feng published the artcileOxycodone inhibits adverse reactions of carboprost tromethamine and influence of inflammatory cytokines during cesarean section, COA of Formula: C25H47NO8, the publication is Guangdong Yixue (2017), 38(20), 3197-3199, 3203, database is CAplus.

Objective: The paper observed the effect of oxycodone on the adverse reactions of carprost tromethamine during cesarean section and its effect on inflammatory cytokines. Methods: Fifty parturients undergoing cesarean section with elective spinal anesthesia, aged 25-35 years old, ASA grade I or II, were divided into oxycodone group (group A) and control group (B) by random number table method group). Group A was given oxycodone 0.07 mg/kg after carboprost tromethamine was given to the parturients, and group B was given symptomatic treatment after carboprost tromethamine adverse reactions occurred in the parturients. The two groups of parturients applied the same formula for postoperative analgesia, and both groups were diluted with normal saline. The paper observed the adverse reactions after the administration of carprost tromethamine and observed the changes in heart rate (HR), mean arterial pressure (MAP), and pulse oxygen saturation (SpO₂) at 2, 5, and 10 min, and observed the changes before and after the administration of oxycodone. Maternal peripheral blood interleukin-2 (IL-2) and VAS scores at relevant time points after surgery were performed at 6, 12, 24, and 48 h after surgery. Results: Comparing group A and group B, the adverse reactions of carboprost tromethamine were significantly reduced, the level of IL-2 in peripheral venous blood was significantly increased at 6, 12, 24, and 48 h after surgery (P < 0.05), VAS score Significantly reduced (P < 0.05). Compared with group B, there were no statistically significant differences in MAP, HR, and SpO₂ at 2 and 10 min after carboprost tromethamine (P > 0.05); but 5 min after carprost tromethamine was administered when compared with group B, MAP and HR were significantly reduced, the difference was statistically significant (P < 0.05), and the SpO₂ difference was not statistically significant (P > 0.05). Conclusion: Oxycodone 0.07 mg/kg applied in cesarean section could significantly reduce the adverse reactions of carprost tromethamine, provide good postoperative analgesia, and increase the secretion of IL-2 after cesarean section. The vital signs of women who were given proper oxycodone during cesarean section were more stable.

Guangdong Yixue 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 C25H47NO8, COA of Formula: C25H47NO8.

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

Lv, Wei published the artcileBioengineered Boronic Ester Modified Dextran Polymer Nanoparticles as Reactive Oxygen Species Responsive Nanocarrier for Ischemic Stroke Treatment, Product Details of C6H13BO3, the publication is ACS Nano (2018), 12(6), 5417-5426, database is CAplus and MEDLINE.

Ischemic stroke is a leading cause of long-term disability and death worldwide. Current drug delivery vehicles for the treatment of ischemic stroke are less than satisfactory, in large part due to their short circulation lives, lack of specific targeting to the ischemic site, and poor controllability of drug release. In light of the upregulation of reactive oxygen species (ROS) in the ischemic neuron, we herein developed a bioengineered ROS-responsive nanocarrier for stroke-specific delivery of a neuroprotective agent, NR2B9C, against ischemic brain damage. The nanocarrier is composed of a dextran polymer core modified with ROS-responsive boronic ester and a red blood cell (RBC) membrane shell with stroke homing peptide (SHp) inserted. These targeted “core-shell” nanoparticles (designated as SHp-RBC-NP) could thus have controlled release of NR2B9C triggered by high intracellular ROS in ischemic neurons after homing to ischemic brain tissues. The potential of the SHp-RBC-NP for ischemic stroke therapy was systematically evaluated in vitro and in rat models of middle cerebral artery occlusion (MCAO). In vitro results showed that the SHp-RBC-NP had great protective effects on glutamate-induced cytotoxicity in PC-12 cells. In vivo pharmacokinetic (PK) and pharmacodynamic (PD) testing further demonstrated that the bioengineered nanoparticles can drastically prolong the systemic circulation of NR2B9C, enhance the active targeting of the ischemic area in the MCAO rats, and reduce ischemic brain damage.

ACS Nano published new progress about 25240-59-9. 25240-59-9 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester,Boronic Acids,Boronate Esters, name is 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ol, and the molecular formula is C6H13BO3, Product Details of C6H13BO3.

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

Lin, Xing-zhe published the artcileAnalysis on clinical effects and safeties of carboprost tromethamine of different administration modes in treatment of postpartum hemorrhage, Synthetic Route of 58551-69-2, the publication is Zhongguo Fuyou Baojian (2016), 31(22), 4660-4662, database is CAplus.

Objective To evaluate the clin. effects of i.m. and cervical injection of carboprost tromethamine in treatment of postpartum hemorrhage. Methods A total of 460 patients were randomly divided into control group (318 cases) and exptl. group (142 cases). The cases in control group were treated by i.m. injection of carboprost tromethamine (250 μg), while the cases in exptl. group were treated by cervical injection of carboprost tromethamine (250 μg). The amounts of endometrorrhagia and colporrhagia within 2 h after the end of the third stage of labor and the incidence rates of adverse reactions in the two groups were compared. Results The amounts of endometrorrhagia in exptl. group and control group were (71.43±13.96) ml and (50.56±10.78) ml, resp. (P<0.05); the amounts of colporrhagia in exptl. group and control group were (35.31±6.32) ml and (44.27±8.31) ml, resp. (P<0.05); the incidence rates of adverse reactions in exptl. group and control group were 16.12% and 11.66%, resp. (P>0.05). Conclusion It is recommended to treat uterine inertia patients by i.m. injection to prevent and treat postpartum hemorrhage; cervical injection should be selected to prevent postpartum hemorrhage among the patients with other causes.

Zhongguo Fuyou Baojian 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 C25H47NO8, Synthetic Route of 58551-69-2.

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

Cai, Hongfeng published the artcileEffects of dexamethasone combined with ambroxol hydrochloride therapy on myocardial enzymes, leukocytes and platelet levels in patients with severe pneumonia, Application In Synthesis of 23828-92-4, the publication is Jianyan Yixue Yu Linchuang (2021), 18(8), 1149-1151, database is CAplus.

Objective: To investigate the effect of dexamethasone combined with ambroxol hydrochloride on myocardial enzymes, leukocytes and platelet levels in patients with severe pneumonia. Methods: A total of 78 patients with severe pneumonia admitted to our hospital from Jan. 2018 to Jan. 2020 were selected and divided into a control group and a research group according to the method of drawing lots, with 39 cases in each group. The control group was treated with a single ambroxol hydrochloride , the study group was treated with dexamethasone on the basis of the control group. The myocardial enzymes [lactate dehydrogenase (LDH), aspartate aminotransferase (AST), creatine kinase (CK) before and after treatment ) and its isoenzyme (CK-MB)], leukocytes, platelets, inflammatory factors [interleukin-6 (IL-6), C-reactive protein (CRP) and tumor necrosis factor-α (TNF-α)] levels The clin. efficacy and lung function were compared. Results: Before treatment, there was no significant difference in the levels of myocardial enzymes, leukocytes and platelets between the two groups (P>0.05). After treatment, the levels of myocardial enzymes, leukocytes and platelets in the study group were lower than those in the control group (P<0.05). The clin. treatment effect of the patients in the study group was significantly better than that in the control group (P<0.05); there was no significant difference in the pulmonary function between the two groups before treatment (P>0.05), and the pulmonary function of the patients in the study group was better than that in the control group after the treatment (P>0.05). There was no significant difference in the levels of inflammatory factors between the two groups before treatment (P>0.05), and the levels of serum inflammatory factors in the study group were lower than those in the control group after treatment (P<0.05). Conclusion: Dexamethasone combined with ambroxol hydrochloride has a significant effect in the treatment of severe pneumonia, can effectively control the levels of myocardial enzymes, leukocytes and platelets, improve the lung function of patients, and reduce the level of inflammatory factors, which is worthy of clin. application.

Jianyan Yixue Yu Linchuang published new progress about 23828-92-4. 23828-92-4 belongs to alcohols-buliding-blocks, auxiliary class Membrane Transporter/Ion Channel,Sodium Channel, name is trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride, and the molecular formula is C13H19Br2ClN2O, Application In Synthesis of 23828-92-4.

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

Jaskiw, George E. published the artcileSmall phenolic and indolic gut-dependent molecules in the primate central nervous system: levels vs. bioactivity, Category: alcohols-buliding-blocks, the publication is Metabolomics (2022), 18(1), 8, database is CAplus and MEDLINE.

Rapidly growing body of data documents associations between disease of the brain and small mols. generated by gut-microbiota (GMB). While such metabolites can affect brain function through a variety of mechanisms, the most direct action would be on the central nervous system (CNS) itself. Identify indolic and phenolic GMB-dependent small mols. that reach bioactive concentrations in primate CNS. We conducted a PubMed search for metabolomic studies of the primate CNS [brain tissue or cerebrospinal fluid (CSF)] and then selected for phenolic or indolic metabolites that (i) had been quantified, (ii) were GMB-dependent. For each chem. we then conducted a search for studies of bioactivity conducted in vitro in human cells of any kind or in CNS cells from the mouse or rat. 36 metabolites of interests were identified in primate CNS through targeted metabolomics. Quantification was available for 31/36 and in vitro bioactivity for 23/36. The reported CNS range for 8 metabolites 2-(3-hydroxyphenyl)acetic acid, 2-(4-hydroxyphenyl)acetic acid, 3-(3-hydroxyphenyl)propanoic acid, (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [caffeic acid], 3-hydroxybenzoic acid, 4-hydroxybenzoic acid, 2-acetamido-3-(1H-indol-3-yl)propanoic acid [N-acetyltryptophan], 1H-indol-3-yl hydrogen sulfate [indoxyl-3-sulfate] overlapped with a bioactive concentration However, the number and quality of relevant studies of CNS neurochem. as well as of bioactivity were highly limited. Structural isomers, multiple metabolites and potential confounders were inadequately considered. The potential direct bioactivity of GMB-derived indolic and phenolic mols. on primate CNS remains largely unknown. The field requires addnl. strategies to identify and prioritize screening of the most promising small mols. that enter the CNS.

Metabolomics 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 C8H8O3, Category: alcohols-buliding-blocks.

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

Pinto, Eduardo Costa published the artcileSensitive detection of topiramate degradation products by high-performance liquid chromatography/electrospray ionization mass spectrometry using ion-pairing reagents and polarity switching, HPLC of Formula: 20880-92-6, the publication is Rapid Communications in Mass Spectrometry (2019), 33(1), 116-124, database is CAplus and MEDLINE.

Rationale : The chromatog. anal. of topiramate and its degradation products is challenging due to the absence of chromophoric moieties in their structures, the wide polarity range of the compounds and their ionization differences. This work proposes two new mass spectrometry approaches for evaluating these analytes. Methods : Based on the calculated exptl. limit of detection (LOD), a highly sensitive high-performance liquid chromatog. (HPLC) paired-ion electrospray ionization mass spectrometry (PIESI-MS) method was developed for the determination of topiramate inorganic degradation products. The influence of different solvent systems on the LODs for topiramate and its main degradation products was determined in both pos./neg. ionization modes. In addition, a HPLC method to analyze both organic and inorganic degradation products was proposed by mass spectrometry with pos./neg. ion switching electrospray ionization. Results : A sensitive HPLC/PIESI-MS method was achieved for the efficient separation of topiramate inorganic degradation products. Both sulfate and sulfamate were detected in the pos. selected ion monitoring (SIM) mode with an increased sensitivity compared with the neg. SIM mode. The HPLC/ESI-MS anal. with pos./neg. ion switching allowed the simultaneous separation and detection of the major degradation products of topiramate in a 10-min run using a single column and a single detector. Conclusions : Two new alternative MS approaches for analyzing the main degradation products of topiramate were developed. The proposed methods are considered advantageous over the existing methods and can be applied to quality control studies of topiramate.

Rapid Communications in Mass Spectrometry 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 C12H20O6, HPLC of Formula: 20880-92-6.

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

Liu, Xiaojie published the artcileNi-Catalyzed Deoxygenative Borylation of Phenols Via O-Phenyl-uronium Activation, Formula: C10H9NO, the publication is ACS Catalysis (2022), 12(15), 8904-8910, database is CAplus.

Herein, we report an efficient method for the Ni-catalyzed deoxygenative borylation of unprotected phenols and also demonstrate that this Ni-catalyzed phenolic C(sp²)-O transformation is applicable to the Suzuki-Miyaura-type and Heck-type cross-couplings of phenols. Investigations on the reaction intermediate have revealed that the achievement of general, mild deoxygenative cross-coupling reactions of phenols is ascribed to the conversion of phenols into the unusual O-phenyl-uroniums that feature active phenolic C(sp²)-O bonds. The Ni-complex intermediate resulting from an oxidative addition of a phenolic C(sp²)-O bond to monophosphine-supported Ni(0) catalyst was characterized and confirmed to be (PCy₃)₂Ni(Ar)(F) complex, offering exptl. evidence for the generally proposed C(sp²)-O oxidative addition step.

ACS Catalysis published new progress about 23351-09-9. 23351-09-9 belongs to alcohols-buliding-blocks, auxiliary class Pyrrole,Benzene,Alcohol, name is 4-(1H-Pyrrol-1-yl)phenol, and the molecular formula is C10H9NO, Formula: C10H9NO.

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

Hu, Ying published the artcileSynthesis of mannosylated polyethylenimine and its potential application as cell-targeting non-viral vector for gene therapy, Related Products of alcohols-buliding-blocks, the publication is Polymers (Basel, Switzerland) (2014), 6(10), 2573-2587, 15 pp., database is CAplus.

Mannose polyethylenimine with a mol. weight of 25 k (Man-PEI25k) was synthesized via a phenylisothiocyanate bridge using mannopyranosylphenyl isothiocyanate as a coupling reagent, and characterized by 1H NMR (NMR) and FT-IR (Fourier transform IR spectroscopy) anal. Spherical nanoparticles were formed with diameters of 80-250 nm when the copolymer was mixed with DNA at various charge ratios of copolymer/DNA (N/P). Gel electrophoresis demonstrated that the DNA had been condensed and retained by the PEI derivates at low N/P ratios. The Man-PEI25k/DNA complexes were less cytotoxic than the PEI complexes with a mol. weight of 25 k (PEI25k) at the same N/P ratio. Laser scan confocal microscopy and flow cytometry confirmed that the Man-PEI25k/DNA complexes gave higher cell uptake efficiency in (Dendritic cells) DC2.4 cells than HeLa cells. The transfection efficiency of Man-PEI25k was higher than that of PEI25k towards DC2.4 cells. These results indicated that Man-PEI25k could be used as a potential DC-targeting non-viral vector for gene therapy.

Polymers (Basel, Switzerland) 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, Related Products of alcohols-buliding-blocks.

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