Month: December 2022

De Prins, An published the artcileSynthesis and in vitro evaluation of stabilized and selective neuromedin U-1 receptor agonists, SDS of cas: 77128-73-5, the publication is ACS Medicinal Chemistry Letters (2018), 9(5), 496-501, database is CAplus and MEDLINE.

Neuromedin U (NMU) is a multifunctional neuropeptide which is characterized by a high conservation through all species. Herein, we describe the synthesis of a novel set of NMU-analogs based on the truncated NMU-8. Through combination of previously reported modifications, an elaborate structure-activity relationship study was performed aiming for the development of peptides with an increased selectivity toward NMU receptor 1 (NMUR1). Compound (Ac-Dmt-Phe-Leu-Dmt-Arg-Pro-Arg-Asn-NH₂) possessed the highest NMUR1 selectivity (IC₅₀ = 0.54 nM, selectivity ratio = 5313) together with an increased potency (EC₅₀ = 3.7 nM), an 18% increase of the maximal effect at NMUR1, and a higher resistance against enzymic degradation as compared to the native NMU-8. The development of a potent NMUR1 agonist with extended half-life could represent an attractive tool to further unveil the role of NMUR1 in NMU signaling.

ACS Medicinal Chemistry Letters published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C25H23NO4, SDS of cas: 77128-73-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Salgado-Ramos, Manuel published the artcileSustainable and non-conventional protocols for the three-way valorisation of lignin from grape stalks, Related Products of ethers-buliding-blocks, the publication is Chemical Engineering and Processing (2022), 109027, database is CAplus.

The main goal of this work is the exploitation of the lignin fraction present in grape stalks (GS) to produce high-value-added chems. via non-conventional and sustainable means in a three-way valorisation process. Firstly, delignification using NaOH and natural deep eutectic Solvents (NaDESs), via microwave-assisted extraction (MAE), was performed using a bicomponent (choline chloride + lactic acid) and a tricomponent (choline chloride + lactic acid + glycerol) NaDES and giving engaging MAE results in terms of delignification (around 80%). The liquid fractions obtained from MAE, using NaDESs and NaOH, were analyzed, with all of them displaying promising antioxidant activity compared to the standards Subsequently, oxidation was carried out via microwave (MW) heating, with the lignins that were isolated after the delignification step mainly yielding long-chain fatty acids (LCFA), which are valuable for bio-fuel production However, when GS was used as the starting material, 16% weight of bioaroms. (mainly vanillin and syringaldehyde) was produced. Oxidation therefore provides two further pathways for the exploitation of the lignin fraction from this lignocellulosic waste.

Chemical Engineering and Processing published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Karelin, A. A. published the artcileInhibition of serum transamidinase by formamidine disulfide. Identification of the SH-group at the active site of the enzyme, Formula: C2H8Cl2N4S2, the publication is Biokhimiya (Moscow) (1972), 37(3), 652-5, database is CAplus and MEDLINE.

Formamidine disulfide (I) [14807-75-1] inhibited the activity of serum transamidinase (EC 2.1.4.1) [9027-35-4] from patients with pancreonecrosis by 50% at 10-6M and by 90% at 2.2 .tim. 10-6M. Preincubation of serum transamidinase with 1 μg trypsin [9002-07-7] increased the inhibitory effect of I. L-canavanine [543-38-4], an amidine donor which is the substrate of the reaction, efficiently protected the activity of the enzyme. Apparently, intactness of the substrate amidine binding region of the enzyme containing the essential sulfhydryl group is the main condition of the preservation of enzymic activity in the blood.

Biokhimiya (Moscow) published new progress about 14807-75-1. 14807-75-1 belongs to ethers-buliding-blocks, auxiliary class Salt,Thiourea,Amine,Aliphatic hydrocarbon chain, name is Formamidine disulfide dihydrochloride, and the molecular formula is C2H8Cl2N4S2, Formula: C2H8Cl2N4S2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zuend, A. published the artcileNew and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups, Synthetic Route of 1589-47-5, the publication is Atmospheric Chemistry and Physics (2011), 11(17), 9155-9206, database is CAplus.

We present a new and considerably extended parameterization of the thermodn. activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcs. and polyols. With the goal to describe a wide variety of organic compounds found in atm. aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alc., and aromatic hydrocarbon. Thermodn. equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H⁺, Li⁺, Na⁺, K⁺, NH⁺₄, Mg²⁺, Ca²⁺, Cl^–, Br^–, NO^–₃, HSO^–₄, and SO^2-₄. Detailed descriptions of different types of thermodn. data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibrium, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of exptl. data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of exptl. datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodn. tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atm. chem. or in other scientific fields.

Atmospheric Chemistry and Physics published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C3H8N2S, Synthetic Route of 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zhou, Jun published the artcileExtended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines, Recommanded Product: 2-Methoxynaphthalene, the publication is Chemical Science (2022), 13(18), 5252-5260, database is CAplus and MEDLINE.

Herein authors successfully developed a ring-fusion approach to extend the conjugation length of phenothiazines and synthesized a series of novel extended phenothiazines. The intriguing π-conjugation length-dependent photophys. and redox properties of these extended phenothiazines, and their photocatalytic performance towards visible-light-driven oxidative coupling reactions of amines were systematically investigated. As compared with the conventional phenothiazine (PTZ), all the extended phenothiazines displayed reversible redox behavior and maintained a strong excited-state reduction potential as well. Consequently, phenothiazines with longer effective conjugation lengths could efficiently catalyze the oxidative coupling of amines to imines under visible-light irradiation; by comparison, the shorter PTZ could only catalyze such reactions in the presence of UV light. Moreover, one PTZ showed superior catalytic performance which can result in better yields within a shorter reaction time, and in a broad substrate scope. Finally, a direct and efficient conversion of amines to imines under sunlight in an air atm. was successfully realized. Authors believe that their study including the new phenothiazine modification methodol. and the newly developed extended phenothiazine-based photocatalysts will open up a new way to develop novel phenothiazine-based materials for optoelectronic and catalytic applications.

Chemical Science published new progress about 93-04-9. 93-04-9 belongs to ethers-buliding-blocks, auxiliary class Naphthalene,Ether, name is 2-Methoxynaphthalene, and the molecular formula is C3H8N2S, Recommanded Product: 2-Methoxynaphthalene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Gattow, G. published the artcileOxidation products of thiourea, Recommanded Product: Formamidine disulfide dihydrochloride, the publication is Zeitschrift fuer Anorganische und Allgemeine Chemie (1988), 66-72, database is CAplus.

(H₂N)₂CSSC(NH₂)₂Cl₂ (I) was obtained by H₂O₂ oxidation of thiourea in presence of HCl. Treatment of I with NaH gave H₂N(HN:)CSSC(:NH)NH₂ (II). Neither I nor II, nor (H₂N)₂CSO₂ reacted with CS₂ or chlorodithioformates.

Zeitschrift fuer Anorganische und Allgemeine Chemie published new progress about 14807-75-1. 14807-75-1 belongs to ethers-buliding-blocks, auxiliary class Salt,Thiourea,Amine,Aliphatic hydrocarbon chain, name is Formamidine disulfide dihydrochloride, and the molecular formula is C2H8Cl2N4S2, Recommanded Product: Formamidine disulfide dihydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Weinberger, R. published the artcileHigh-pressure liquid chromatographic analysis of pramoxine hydrochloride in high lipoid aerosol foam dosage form, Related Products of ethers-buliding-blocks, the publication is Journal of Pharmaceutical Sciences (1980), 69(4), 475-7, database is CAplus and MEDLINE.

A rapid and quant. method for the determination of pramoxine-HCl (I) [637-58-1] by high-pressure liquid chromatog. is presented. The drug is extracted as the salt from a preparation with a high lipoid composition by partitioning it to the aqueous phase of an Et₂O-MeOH-H₂O-AcOH system. The extract is chromatographed on an octadecylsilane bonded packing with MeOH-H₂O-AcOH-MeSO₃H mobile phase. The time required for each separation is âˆ? min. Anal. recoveries of 100.4 ± 1.5% were obtained.

Journal of Pharmaceutical Sciences published new progress about 637-58-1. 637-58-1 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, and the molecular formula is C9H9NO, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Bhattacharya, Aditya published the artcile“Haliranium Ion”-Induced Intermolecular Friedel-Crafts Alkylation in HFIP: Synthesis of β,β-Diaryl α-Halo carbonyl Compounds, HPLC of Formula: 93-04-9, the publication is European Journal of Organic Chemistry (2021), 2021(33), 4737-4749, database is CAplus.

Herein, a highly regio- and diastereoselective haliranium ion-induced intermol. Friedel-Crafts reaction of α,β-unsaturated carbonyl compounds in HFIP is reported. The operationally simple and mild method affords the synthetically useful β,β-diarylated α-halo carbonyl compounds in good yields after a very short reaction time. As an application, a few examples of β,β-diarylated olefins are prepared in excellent yields. Based on the exptl. results and a qual. study of 1D-NMR-experiments, a plausible reaction mechanism is proposed.

European Journal of Organic Chemistry published new progress about 93-04-9. 93-04-9 belongs to ethers-buliding-blocks, auxiliary class Naphthalene,Ether, name is 2-Methoxynaphthalene, and the molecular formula is C11H10O, HPLC of Formula: 93-04-9.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Dalla Cort, Antonella published the artcileInherently Chiral Uranyl-Salophen Macrocycles: Computer-Aided Design and Resolution, COA of Formula: C10H14O, the publication is Journal of Organic Chemistry (2005), 70(24), 9814-9821, database is CAplus and MEDLINE.

A flipping motion rapidly inverts the bent structure of uranyl-salophen compounds and, consequently, causes fast enantiomerization of nonsym. substituted derivatives This process was previously slowed by introducing bulky substituents in the imine bond region. Since the resulting complexes dissociate upon chromatog. treatment, an alternative approach to the design and synthesis of robust, nonflipping uranyl-salophen compounds is here described. Such an approach is based on the idea that the flipping motion would be blocked by connecting the para positions with respect to the phenoxide oxygens by polymethylene bridges of suitable length. Anal. of a number of uranyl-salophen compounds by mol. mechanics, while showing that bulky substituents in the imine bond region cause severe distortions of the ligand backbone, suggested that the best chain lengths are those that fit the gap between the phenoxide rings without altering the natural geometry of the parent uranyl-salophen compound Calculations showed that such chains are those composed of 12 and 13 methylene units. Accordingly, chiral uranyl-salophen macrocycles bridged with 12- and 13-methylene chains, [UO₂(L)] (H₂L = I, n = 1, 2; R = i-Pr, R’ = Ph), were synthesized in fairly good yields and resolved by chiral HPLC.

Journal of Organic Chemistry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, COA of Formula: C10H14O.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Liu, Jin published the artcileA Comparison of Acetyl- and Methoxycarbonylnitrenes by Computational Methods and a Laser Flash Photolysis Study of Benzoylnitrene, SDS of cas: 16332-06-2, the publication is Journal of Organic Chemistry (2004), 69(25), 8583-8593, database is CAplus and MEDLINE.

D. functional theory (DFT), CCSD(T), and CBS-QB3 calculations were performed to understand the chem. and reactivity differences between acetylnitrene (CH₃C(:O)N) and methoxycarbonylnitrene (CH₃OC(:O)N) and related compounds CBS-QB3 theory alone correctly predicts that acetylnitrene has a singlet ground state. We agree with previous studies that there is a substantial N-O interaction in singlet acetylnitrene and find a corresponding but weaker interaction in methoxycarbonylnitrene. Methoxycarbonylnitrene has a triplet ground state because the oxygen atom stabilizes the triplet state of the carbonyl nitrene more than the corresponding singlet state. The oxygen atom also stabilizes the transition state of the Curtius rearrangement and accelerates the isomerization of methoxycarbonylnitrene relative to acetylnitrene. Acetyl azide is calculated to decompose by concerted migration of the Me group along with nitrogen extrusion; the free energy of activation for this concerted process is only 27 kcal/mol, and a free nitrene is not produced upon pyrolysis of acetyl azide. Methoxycarbonyl azide, on the other hand, does have a preference for stepwise Curtius rearrangement via the free nitrene. The bimol. reactions of acetylnitrene and methoxycarbonylnitrene with propane, ethylene, and methanol were calculated and found to have enthalpic barriers that are near zero and free energy barriers that are controlled by entropy. These predictions were tested by laser flash photolysis studies of benzoyl azide. The absolute bimol. reaction rate constants of benzoylnitrene were measured with the following substrates: acetonitrile (k = 3.4 × 10⁵ M^-1 s^-1), methanol (6.5 × 10⁶ M^-1 s^-1), water (4.0 × 10⁶ M^-1 s^-1), cyclohexane (1.8 × 10⁵ M^-1 s^-1), and several representative alkenes. The activation energy for the reaction of benzoylnitrene with 1-hexene is -0.06 ± 0.001 kcal/mol. The activation energy for the decay of benzoylnitrene in pentane is -3.20 ± 0.02 kcal/mol. The latter results indicate that the rates of reactions of benzoylnitrene are controlled by entropic factors in a manner reminiscent of singlet carbene processes.

Journal of Organic Chemistry published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, SDS of cas: 16332-06-2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem