Tag: M.W=100-150

Sun, Chiyu published the artcileSynthesis and Evaluation of Aminothiazole Derivatives as Hedgehog Pathway Inhibitors, HPLC of Formula: 22483-09-6, the main research area is aminothiazole Hedgehog inhibitor antitumor neoplasm; Gli1, hedgehog signaling; Smo; aminothiazole; benzimidazole; cytotoxicity; synthesis.

A series of aminothiazole derivatives bearing the benzimidazole moiety were synthesized and evaluated in Gli luciferase reporter assays. Lead optimization led to the discovery of potent hedgehog pathway antagonist (I) (2-[3-(1H-benzimidazol-2-yl)-4-chloroanilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide), with IC50 values in nanomolar range. The mol. basis ascribed to hindering sonic hedgehog-driven Smoothened (Smo) localization within the primary cilium (PC). Moreover, compound I inhibited Gli1 mRNA expression in mutant Smo cell line and displayed moderate cytotoxicity against DAOY cancer cell.

Chemistry & Biodiversity published new progress about Antitumor agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, HPLC of Formula: 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hamdi, Assia published the artcileCytotoxicity and Antiviral Activities of Haplophyllum tuberculatum Essential Oils, Pure Compounds, and Their Combinations against Coxsackievirus B3 and B4 #, SDS of cas: 111-87-5, the main research area is Haplophyllum tuberculatum essential oil cytotoxicity antiviral coxsackievirus.

Haplophyllum tuberculatumis a plant commonly used in folk medicine to treat several diseases including vomiting, nausea, infections, rheumatism, and gastric pains. In the current study, H. tuberculatumessential oils, hydrosols, the pure compounds R-(+)-limonene, S-(-)-limonene, and 1-octanol, as well as their combinations R-(+)-limonene/1-octanol and S-(-)-limonene/1-octanol, were screened for their cytotoxicity on HEp-2 cells after 24, 48, and 72 h, and then tested for their activity against Coxsackievirus B3 and B4 (CV-B3 and CV-B4) at 3 different moments: addition of the plant compounds before, after, or together with virus inoculation. Results showed that the samples were more cytotoxic after 72 h than after 24 h or 48 h cell contact. However, the combinations R-(+)-limonene/1-octanol and S-(-)-limonene/1-octanol showed less effect on HEp-2 cells than pure R-(+)-limonene and S-(-)-limonene after 24 h, 48 h, and 72 h. 1-octanol exhibited the highest concentration causing 50% cytotoxicity (CC50) on HEp-2 cells after 24 h (CC50 = 93 μg/mL) and 48 h (CC50 = 83 μg/mL). The antiviral assays showed that the tested samples exhibited potent inhibition of CV-B. IC 50values ranged from 0.66 μg/mL to 28.4 μg/mL. In addition, CV-B3 was more sensitive than CV-B4. Both CV-B strains are more inhibited when cells were pretreated with the plant compounds The hydrosols have no effect, neither on HEp-2 cells nor on the virus. 1-octanol, S-(-), and R-(+)-limonene/1-octanol had important selectivity indexes over time. Although essential oils had potent antiviral activity, they can be considered for application in the pretreatment of cells. However, 1-octanol and the combinations are within the safety limits, and thus, they can be used as an active natural antiviral agent for CV-B3 and CV-B4 inhibition.

Planta Medica published new progress about Antiviral agents. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, SDS of cas: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bhimaneni, SaiPriyanka published the artcileAbscisic acid and aloe-emodin against NS2B-NS3A protease of Japanese encephalitis virus, Recommanded Product: n-Octanol, the main research area is Japanese encephalitis virus protease abscisic acid aloe emodin; Molecular docking studies; Molecular dynamics simulations; NS2B-NS3A protease; Pharmacokinetics prediction; Target specific assay.

There are no specific drugs for the treatment of Japanese Encephalitis. Thus, new chem. entities or exploration of existing mols. is required. We have tested the antiviral potential of abscisic acid and aloe-emodin against protease of the Japanese encephalitis virus (JEV) using the computational and target-based assay. Maestro Schrodinger glide suite 2019 was used for mol. docking and dynamic studies, and NS2B-NS3A JEV protease kit was used to confirm protease inhibitory activity of abscisic acid and aloe-emodin. The abscisic acid and aloe-emodin have shown optimum binding affinity towards NS2B-NS3A protease of JEV. Furthermore, mol. dynamic simulation results have also shown the stability of abscisic acid and aloe-emodin within the binding pocket of NS2B-NS3A protease. The ADME parameters of both compounds were also found in an acceptable range. The IC50 values were found to be 100μg/mL and 7.3μg/mL for abscisic acid and aloe-emodin resp. which indicate more potency of aloe-emodin over the abscisic acid. However, the toxicity prediction results have shown a good safety profile of abscisic acid as compared to aloe-emodin. Thus, further, more detailed exptl. studies are required to develop abscisic acid and aloe-emodin as a specific protease inhibitor of JEV.

Environmental Science and Pollution Research published new progress about Antiviral agents. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Han, Jinhe published the artcileMolecular design, synthesis, and biological evaluation of bisamide derivatives as cyclophilin A inhibitors for HCV treatment, Recommanded Product: 2,2-Dimethoxyethanamine, the main research area is bisamide preparation mol design docking SAR antiviral human; Bisamide; Cyclophilin A inhibitor; Hepatitis C virus; Molecular modeling; Ugi reaction.

Hepatitis C virus (HCV) is a major cause of end-stage liver diseases. Direct-acting antivirals including inhibitors of nonstructural proteins (NS3/4A protease, NS5A, and NS5B polymerase), represent key components of anti-HCV treatment. Previous reports have shown that bisamides could be a novel class of cyclophilin A (CypA) inhibitors for treating HCV as a member of combinational therapies. To fully elucidate SARs of bisamide derivatives and find a better hit compound with diverse binding modes, sixteen bisamides I (R1 = Cy, t-Bu; R2 = C6H5, 3,4-MeO2C6H3, 3,4,5-MeO3C6H2, 2,3,4-MeO3C6H2; R3 = C6H5, 4-MeOC6H4, 4-BrC6H4, etc.; R4 = indol-2-yl, 1-(4-methoxybenzyl)-1H-indol-3-ylmethyl, 1H-indol-3-ylmethyl) were designed with the help of docking program. They were then synthesized using one-pot four-component Ugi reaction. Compound I (R1 = Cy; R2 = 3,4,5-MeO3C6H2; R3 = (3,4-dimethoxyphenyl)ethyl; R4 = 1H-indol-3-ylmethyl) with selectivity index of more than 18.9 (50% effective concentration of 5.3μM, but no cytotoxicity at 100μM) and unique binding mode that could be dived into gatekeeper pocket was selected as a new hit compound Surface plasmon resonance experiments revealed that the above compound is able to bind to CypA with a KD of 3.66μM. Taken together, these results suggest that the above compound as a CypA inhibitor could be used as an alternative anti-HCV agent in combinational therapy in the future.

European Journal of Medicinal Chemistry published new progress about Antiviral agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Recommanded Product: 2,2-Dimethoxyethanamine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Haili published the artcileCharacterization of key odor-active compounds in thermal reaction beef flavoring by SGCxGC-O-MS, AEDA, DHDA, OAV and quantitative measurements, Computed Properties of 505-10-2, the main research area is furanthiol methylbutanal beef flavoring extraction mass spectrometry gas chromatog.

Thermal reaction beef flavoring is a kind of food additive. In this study, three extraction methods of dynamic headspace sampling (DHS), solid phase micro-extraction (SPME) and liquid-liquid extraction (LLE) combined with switchable two-dimensional gas chromatog.-olfactometry-mass spectrometry (SGCxGC-O-MS) were employed to characterize volatile compounds in thermal reaction beef flavoring. The odor characteristics of thermal reaction beef flavors were identified by sensory evaluation, aroma extraction dilution anal. (AEDA), dynamic headspace dilution anal. (DHDA), odor activity value (OAV) and quant. measurements. A total of 231 volatile odor compounds were identified by the three extraction methods, which including 15 aldehydes, 41 ketones, 29 alcs., 27 esters, 13 furans, 20 pyrazines, 9 sulfur-containing compounds, 18 thiophenes and thiazoles, 19 acids and 40 other compounds Ninety-eight compounds had odor activity, and 22 odor-active compounds were quant. analyzed. 2-Methyl-3-furanthiol (meaty) and bis(2-methyl-3-furanyl) disulfide (onion) had the higher FD and OAV, 3-methylbutanal (chocolate) was first identified as the key odor-active compound in thermal reaction beef flavoring, Me furfuryl disulfide (meaty), 2-ethyl-3,5-dimethylpyrazine (roasted nuts), 2,3-butanedione (caramel), linalool (floral), furfural (baked bread), 2-furfurylthiol (sulfury) and other compounds were also identified as the key aroma components in thermal reaction beef flavoring. The results showed that SPME and DHS were more suitable than LLE for the separation and extraction of volatile odor compounds in thermal reaction beef flavoring, and there were some masking and synergistic effects between odor-active compounds

Journal of Food Composition and Analysis published new progress about Beef (flavoring). 505-10-2 belongs to class alcohols-buliding-blocks, name is 3-(Methylthio)propan-1-ol, and the molecular formula is C4H10OS, Computed Properties of 505-10-2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cho, Er-Chieh published the artcileRing size changes in the development of class I HDAC inhibitors, Category: alcohols-buliding-blocks, the main research area is thienylbenzamide anticancer SAR HDAC inhibitor docking; HDAC; Thienylbenzamides; colon cancer; ring transformation.

Five pathways involving different ring structures led to generation of fourteen thienylbenzamides which display the structure-activity relationships of class I HDAC inhibitors. All the synthesized compounds inhibit HDAC1 and HDAC2 selectively over other isoforms and many inhibit DLD1 and HCT116 cells more effectively than a parent compound Compounds and inhibit HCT116 cells by activation of the apoptosis pathway.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Antitumor agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Jiang, Xiong-Jie published the artcileA pH-responsive fluorescence probe and photosensitiser based on a tetraamino silicon(IV) phthalocyanine, Recommanded Product: N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine, the main research area is pH responsive fluorescence probe photosensitizer tetraaminosilicon phthalocyanine.

A novel tetraamino silicon(IV) phthalocyanine has been prepared, of which the fluorescence emission and reactive oxygen species generation efficiency are greatly enhanced at lower pH in the range of ∼5-7, making it a promising pH-controlled and tumor-selective fluorescence probe and photosensitizer for photodynamic therapy.

Chemical Communications (Cambridge, United Kingdom) published new progress about Antitumor agents. 2212-32-0 belongs to class alcohols-buliding-blocks, name is N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine, and the molecular formula is C7H18N2O, Recommanded Product: N2-(2-Hydroxyethyl)-N1,N1,N2-trimethyl-1,2-ethylenediamine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wu, Chan published the artcileNovel SN38 derivative-based liposome as anticancer prodrug: an in vitro and in vivo study, HPLC of Formula: 111-87-5, the main research area is SN38 PA liposome anticancer; CPT-11; SN38; biodistribution; lipophilic prodrug; long-circulating liposome; pharmacodynamics; pharmacokinetics.

Background: Many novel drug delivery systems have been extensively studied to exploit the full therapeutic potential of SN38, which is one of the most potent antitumor analogs of camptothecins (CPTs), whose clin. application is seriously hindered by poor water solubility, low plasmatic stability, and severe toxicity, but results are always unsatisfactory. Methods: In this study, combining the advantages of prodrug and nanotechnol., a lipophilic prodrug of SN38, SN38-PA, was developed by conjugating palmitic acid to SN38 via ester bond at C10 position, and then the lipophilic prodrug was encapsulated into a long-circulating liposomal carrier by film dispersion method. Results: The SN38-PA liposomes were characterized as follows: an average particle size of 80.13 nm, an average zeta potential of -33.53 mv, and the entrapment efficiency of 99%. Compared with CPT-11, SN38-PA liposome was more stable in close lactone form, more efficient in conversion rate to SN38, and more potent in cytotoxicity against tumor cells. Pharmacokinetic study showed that SN38-PA liposome had significantly enhanced plasma half-life (t1/2) value of SN38 and increased area under the curve (AUC) of SN38, which was 7.5-fold higher than that of CPT-11. Biodistribution study showed that SN38-PA liposome had more active metabolite SN38 in each tissue. Finally, the pharmacodynamic study showed that SN38-PA liposome had higher antitumor effect with the antitumor inhibition rate of 1.61 times than that of CPT-11. Conclusion: These encouraging data merit further investigation on this novel SN38-PA liposome.

International Journal of Nanomedicine published new progress about Antitumor agents. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, HPLC of Formula: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Song, Zilan published the artcileStructure-Activity Relationship Study of Amidobenzimidazole Analogues Leading to Potent and Systemically Administrable Stimulator of Interferon Gene (STING) Agonists, Application of 2,2-Dimethoxyethanamine, the main research area is amidobenzimidazole analog STING agonist SAR immunooncol.

Activation of the stimulator of interferon gene (STING) has emerged as an exciting immuno-oncol. therapeutic strategy; however, the first-generation STING agonists, cyclic dinucleotide (CDN) analogs, have suffered from many disadvantages and failed in clin. trials. Therefore, non-CDN small-mol. STING agonists are urgently needed. In view of the unique structure of the high potency of dimeric amidobenzimidazole STING agonist 5, a structural elaboration was conducted by modifying several structural hotspots of this scaffold. Triazole 40 was identified as a new potent STING activator, possessing EC50 values of 0.24 and 39.51μM for h- and m-STING, resp. This compound has a slightly better pharmacokinetic profile and is >20-fold more aqueously soluble than 5. It activated the STING signaling dramatically by directly binding and stabilizing all h-STING isoforms and m-STING. In vivo, intermittent administration of 40 (I) was found to have significant antitumor efficacy with good tolerance in two mouse tumor models.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Application of 2,2-Dimethoxyethanamine.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lin, Hong published the artcileDiscovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors, Quality Control of 22483-09-6, the main research area is covalent inhibitor PRMT5 hemiaminals cocrystal structure.

Protein arginine methyltransferase 5 (PRMT5) is known to sym. dimethylate numerous cytosolic and nuclear proteins that are involved in a variety of cellular processes. Recent findings have revealed its potential as a cancer therapeutic target. PRMT5 possesses a cysteine (C449) in the active site, unique to PRMT5. Therefore, covalent PRMT5 inhibition is an attractive chem. approach. Herein, we report an exciting discovery of a series of novel hemiaminals that under physiol. conditions can be converted to aldehydes and react with C449 to form covalent adducts, which presumably undergo an unprecedented elimination to form the thiol-vinyl ethers, as indicated by electron d. in the co-crystal structure of the PRMT5/MEP50 complex.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 22483-09-6 belongs to class alcohols-buliding-blocks, name is 2,2-Dimethoxyethanamine, and the molecular formula is C4H11NO2, Quality Control of 22483-09-6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts