Tag: M.W=50-100

Ejaz, Iqra published the artcileRational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2,5-dione analogs for the treatment of breast cancer, Name: 1-Methylurea, the main research area is breast cancer antiproliferative estrogen receptor indenopyrimidine dione therapeutics; Breast cancer; Estrogen receptor (ER); MCF-7 cancer cells, Antiangiogenesis; Tricyclic indenopyrimidine-2,5-dione.

Based on the structural architecture of estrogen receptors (ER) agonists/antagonists, we rationally designed and synthesized indenopyrimidine-2,5-dione analogs as a starting point of current research targeting estrogen receptors. These analogs were evaluated for their antiproliferative activities against breast cancer MCF-7 (ER+), MDA-MB-231 (ER-) and non-cancerous HEK-293 cells using MTT assay. Compounds with high antiproliferative activity against MCF-7 breast cancer cells were found devoid of cytotoxicity against HEK-293 cells. Competitive binding assay of estrogen receptors ERα and ERβ showed that diethanolamine derivative of 4-trifluoromethyl Ph derivative 30 displayed 77.5-fold strong binding affinity towards ERα (IC50 = 0.004 μM) as compared to ERβ (IC50 = 0.31 μM). The calculated RBA value of compound 30 indicated that it has greater affinity with ER than estradiol. By docking studies, we demonstrated that high binding affinity with ERα is due to binding orientation and interaction of CF3 with a number of key amino acid residues present in the active site of ERα.

Bioorganic & Medicinal Chemistry Letters published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Pretze, Marc published the artcileSynthesis, radiolabelling and initial biological characterisation of 18F-labelled xanthine derivatives for PET imaging of Eph receptors, Safety of 1-Methylurea, the main research area is fluorine 18 xanthine derivative preparation imaging Eph receptor cancer.

Eph receptor tyrosine kinases, particularly EphA2 and EphB4, represent promising candidates for mol. imaging due to their essential role in cancer progression and therapy resistance. Xanthine derivatives were identified to be potent Eph receptor inhibitors with IC50 values in the low nanomolar range (1-40 nm). These compounds occupy the hydrophobic pocket of the ATP-binding site in the kinase domain. Based on lead compound 1, we designed two fluorine-18-labeled receptor tyrosine kinase inhibitors ([18F]2/3) as potential tracers for positron emission tomog. (PET). Docking into the ATP-binding site allowed us to find the best position for radiolabelling. The replacement of the Me group at the uracil residue ([18F]3) rather than the Me group of the phenoxy moiety ([18F]2) by a fluoropropyl group was predicted to preserve the affinity of the lead compound 1. Herein, we point out a synthesis route to [18F]2 and [18F]3 and the resp. tosylate precursors as well as a labeling procedure to insert fluorine-18. After radiolabelling, both radiotracers were obtained in approx. 5% radiochem. yield with high radiochem. purity (>98%) and a molar activity of >10 GBq μmol-1. In line with the docking studies, first cell experiments revealed specific, time-dependent binding and uptake of [18F]3 to EphA2 and EphB4-overexpressing A375 human melanoma cells, whereas [18F]2 did not accumulate at these cells. Since both tracers [18F]3 and [18F]2 are stable in rat blood, the novel radiotracers might be suitable for in vivo mol. imaging of Eph receptors with PET.

Organic & Biomolecular Chemistry published new progress about EphA2 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Safety of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Baranov, Vladimir V. published the artcileNew aspects of reactions of methyl (thio)ureas with benzil, Application of 1-Methylurea, the main research area is perhydro dioxoloimidazole preparation; diphenylimidazolidine thione preparation.

New pathways of reaction between 1-methylthiourea or 1-methylurea and benzil bring about new derivatives of (2S*,3aR*,6aS*)-perhydro-3aH-[1,3]dioxolo[4,5-d]imidazole I [X = S, O] and racemic (4S*,5R*)-4-alkoxy-5-hydroxy-1-methyl-4,5-diphenylimidazolidine-2-thiones II [R = Me, Et, n-Pr, n-Bu, i-Bu]. Some of the obtained urea-and thiourea derivatives were characterized by X-ray diffraction, which showed their supramol. organization governed by the directionality of hydrogen bonds at the acceptor side C=O or C=S groups.

Mendeleev Communications published new progress about Imidazoles Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Chen, Zhou published the artcileHuman Odour Coding in the Yellow Fever Mosquito, Aedes aegypti, Computed Properties of 598-50-5, the main research area is odorant antennal olfactory sensilla Aedes.

Insects use their olfactory systems to obtain chem. information on mating partners, oviposition sites and food. The yellow fever mosquito Aedes aegypti, an important vector of human infectious diseases, shows strong preference for human blood meals. This study investigated the chem. basis of host detection by characterizing the neuronal responses of antennal olfactory sensilla of female Ae. aegypti to 103 compounds from human skin emanations. The effect of blood feeding on the responses of olfactory sensilla to these odorants was examined as well. Sensilla SBTII, GP, and three functional subtypes of SST (SST1, SST2, and SST3) responded to most of the compounds tested. Olfactory receptor neurons (ORNs) ′A′ and ′B′ in the trichoid sensilla, either activated or inhibited, were involved in the odor coding process. Compounds from different chem. classes elicited responses with different temporal structures and different response patterns across the olfactory sensilla. Except for their increased responses to several odorants, blood-fed mosquitoes generally evoked reduced responses to specific aldehydes, alcs., aliphatics/aromatics, ketones, and amines through the SST1, SST2, SBTI, SBTII and GP sensilla. The odorants eliciting diminished responses in female mosquitoes after blood feeding may be important in Ae. aegypti host-seeking activity and thus can be candidates for mosquito attractants in the process of this disease vector management.

Scientific Reports published new progress about Aedes aegypti Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Computed Properties of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ismail, Norafiqah published the artcileNon-ionic deep eutectic solvents for membrane formation, Computed Properties of 598-50-5, the main research area is nonionic deep eutectic solvent polyvinylidene fluoride membrane water permeability.

Deep eutectic solvents (DES) have recently emerged as a new class of inexpensive biodegradable solvents and additives with diverse applications. In this study, a new family of non-ionic deep eutectic solvents (NIDES) is proposed for the first time for membrane preparation Three types of NIDES, N-methylacetamide-acetamide (DES-1), N-Me acetamide-N-Me urea (DES-2), and N-Me acetamide-N,N’-dimethyl urea (DES-3) were synthesized and used to dissolve polyvinylidene fluoride (PVDF) polymer. The effects of the additive polyvinylpyrrolidone (PVP) and the type of NIDES on the PVDF membrane characteristics, water permeability and bovine serum albumin (BSA) separation were studied. The membranes prepared with DES-1 and 2 wt% PVP exhibited a good water permeate flux (96.82 L/m2.h) and a high BSA separation factor (96.32%). High performance PVDF membranes can thus be efficiently prepared using biodegradable inexpensive NIDES.

Journal of Membrane Science published new progress about Cloud point. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Computed Properties of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xu, Qinghong published the artcileRapid screening of the hydrogen bonding strength of radicals by electrochemiluminescent probes, Application In Synthesis of 598-50-5, the main research area is luminol hydrogen bond association electrochemiluminescence UV spectra.

In this study, we discovered that a clear decrease in the electrochemiluminescence (ECL) intensities of luminol occurred upon increasing the electron donating capacity of amides. Therefore, herein, a novel ECL probe was used for the first time to screen the strength of the hydrogen bonds formed between HOO radicals and amides. This proposed hydrogen bonding strength-sensitive ECL probe has a significant prospect in distinguishing the hydrogen bonding strength of different radicals.

Chemical Communications (Cambridge, United Kingdom) published new progress about Amides Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application In Synthesis of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Krieg, Reimar published the artcileFirst Synthesis of Highly Chemiluminescent Benzo[b]furan-2(3H)-ones Bearing a Urea Substructure, Synthetic Route of 598-50-5, the main research area is chemiluminescent dialkylaminocarbonylaminobenzofuranone preparation fluorescence.

A series of benzo[b]furan-2(3H)-ones (coumaran-2-ones) bearing a urea substructure, namely derivatives of 3-(aminocarbonylamino)benzo[b]furan-2(3H)-one, was prepared for the first time. The accessibility of these compounds through an electrophilic α-amidoalkylation approach of phenols (Tscherniac-Einhorn reaction) in the key step as well as the chemiluminescence (CL) properties of the desired compounds are strongly dependent on the substitution patterns at the urea moiety. Competing reaction pathways are discussed and an improved one pot synthetical approach of also general interest is presented. In conclusion, especially N,N-dialkylaminocarbonylamino-derivatives of benzo[b]furan-2(3H)-ones exhibit a strong flash like blue CL upon treatment with bases such as 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) in the presence of oxygen or hydrogen peroxide. Comparative physico-chem. investigations revealed that novel compounds outperform their urethane-analogs in terms of CL-intensity and the speed of the decay making them potentially useful as new tools for CL-based applications on the short time scale.

Helvetica Chimica Acta published new progress about Chemiluminescence. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Synthetic Route of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Majellaro, Maria published the artcile3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition, Computed Properties of 598-50-5, the main research area is dihydropyrimidinone A2B adenosine receptor antagonist antitumor prostate cancer.

We present and thoroughly characterize a large collection of 3,4-dihydropyrimidin-2(1H)-ones as A2BAR antagonists, an emerging strategy in cancer (immuno) therapy. Most compounds selectively bind A2BAR, with a number of potent and selective antagonists further confirmed by functional cAMP experiments The series was analyzed with one of the most exhaustive free energy perturbation studies on a GPCR, obtaining an accurate model of the structure-activity relationship of this chemotype. The stereospecific binding modeled for this scaffold was confirmed by resolving the two most potent ligands [(±)-47, and (±)-38Ki = 10.20 and 23.6 nM, resp.] into their two enantiomers, isolating the affinity on the corresponding (S)-eutomers (Ki = 6.30 and 11.10 nM, resp.). The assessment of the effect in representative cytochromes (CYP3A4 and CYP2D6) demonstrated insignificant inhibitory activity, while in vitro experiments in three prostate cancer cells demonstrated that this pair of compounds exhibits a pronounced antimetastatic effect.

Journal of Medicinal Chemistry published new progress about Adenosine receptor antagonists. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Computed Properties of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Al-Ahmary, Khairia M. published the artcileThermodynamic study and spectroscopic analysis of a charge-transfer complex between 3,5-diamino-1,2,4-triazole and 6-methyl-1,3,5-triazine-2,4-diamine with chloranilic acid, Product Details of C2H5N5, the main research area is diamino triazole methyl triazine diamine chloranilic acid spectroscopic analysis.

Studying of charge-transfer (CT) and proton transfer interactions is essential due to their important role in many biol. field and industrial applications. The current work will add more information’s about the nature of interaction between 3,5-diamino-1,2,4-triazole (DAT) and 6-methyl-1,3,5-triazine-2,4-diamine (MTDA) with 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (chloranilic acid CLA) which was studied spectrophotometrically in Ethanol (EtOH) and Methanol (MeOH) solvents at different temperatures The mol. composition of the formed complexes was studied by applying continuous variation and spectrophotometric titration methods and found to be 1:1 charge transfer complex for both Complex (DAT:CLA) and (MTDA:CLA) which are produced. Min.-Maximum absorbance’s method has been applied to calculate the formation constant KCT and mol. extinction coefficient (ε); they recorded high values confirming high stability of the produced complexes. Oscillator strength (f), transition dipole moment (μ), ionization potential (IP) and dissociation energy (W) of the formed CT-complexes were also determined and evaluated; they showed solvent dependency. It is concluded that the formation constant (KCT) of the complexes is found to depend on the nature of both electron acceptor and donors and on the polarity of solvents.

Open Journal of Physical Chemistry published new progress about Chemical potential. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Al-Ahmary, Khairia M. published the artcileThermodynamic study and spectroscopic analysis of a charge-transfer complex between 3,5-diamino-1,2,4-triazole and 6-methyl-1,3,5-triazine-2,4-diamine with chloranilic acid, Application In Synthesis of 1455-77-2, the main research area is diamino triazole methyl triazine diamine chloranilic acid spectroscopic analysis.

Studying of charge-transfer (CT) and proton transfer interactions is essential due to their important role in many biol. field and industrial applications. The current work will add more information’s about the nature of interaction between 3,5-diamino-1,2,4-triazole (DAT) and 6-methyl-1,3,5-triazine-2,4-diamine (MTDA) with 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (chloranilic acid CLA) which was studied spectrophotometrically in Ethanol (EtOH) and Methanol (MeOH) solvents at different temperatures The mol. composition of the formed complexes was studied by applying continuous variation and spectrophotometric titration methods and found to be 1:1 charge transfer complex for both Complex (DAT:CLA) and (MTDA:CLA) which are produced. Min.-Maximum absorbance’s method has been applied to calculate the formation constant KCT and mol. extinction coefficient (ε); they recorded high values confirming high stability of the produced complexes. Oscillator strength (f), transition dipole moment (μ), ionization potential (IP) and dissociation energy (W) of the formed CT-complexes were also determined and evaluated; they showed solvent dependency. It is concluded that the formation constant (KCT) of the complexes is found to depend on the nature of both electron acceptor and donors and on the polarity of solvents.

Open Journal of Physical Chemistry published new progress about Chemical potential. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Application In Synthesis of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem