Day: April 1, 2022

Denny, William A.; Atwell, Graham J.; Roberts, Peter B.; Anderson, Robert F.; Boyd, Maruta; Lock, Colin J. L.; Wilson, William R. published an article about the compound: 4-Chloro-8-methylquinoline( cas:18436-73-2,SMILESS:CC1=C2N=CC=C(Cl)C2=CC=C1 ).Computed Properties of C10H8ClN. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:18436-73-2) through the article.

A series of isomeric 4-[[3-(dimethylamino)propyl]amino]nitroquinolines, e.g., I [Rn = H, 3-, 5-, 6-, 7-, 8-NO2, 2,5-Me(O2N), 3,5-Me(O2N), 6,5-Me(O2N), 8,5-Me(O2N), 7,8-Me(O2N), 7,6-Me(O2N), 2,3-Me(O2N)], has been synthesized and evaluated as hypoxia-selective cytotoxins and as radiosensitizers of hypoxic cells. The compounds showed widely-differing hypersensitivity factors (ratios of cytotoxicity against wild-type and repair-deficient mammalian cells). Many compounds showed oxygen-sensitive bioreduction resulting in DNA alkylation, while others show oxygen-insensitive modes of action. Of the nitro isomers studied, the 5-nitro showed the greatest hypoxic selectivity. A series of ring-substituted analogs were then prepared, in an effort to lower its reduction potential of -286 mV. Structure-activity studies showed that the effects of substitution on reduction potential were complex, being mediated by electronic and steric effects on the nitro group, as well as by effects on quinoline pKa. Two compounds of lower reduction potential, the 3- and 8-Me analogs, showed improved selectivity (47- and 60-fold in a clonogenic assay). These two compounds also showed the highest in vitro therapeutic indexes of the series as hypoxic cell radiosensitizers. Despite these favorable in vitro properties, neither compound had activity against hypoxic cells in SCCVII tumors when administered at 60% of the maximum tolerated dose.

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Pyrimidine | C4H4N2 – PubChem,
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Recommanded Product: 591-12-8. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Combined targeted and untargeted profiling of volatile aroma compounds with comprehensive two-dimensional gas chromatography for differentiation of virgin olive oils according to variety and geographical origin. Author is Lukic, Igor; Carlin, Silvia; Horvat, Ivana; Vrhovsek, Urska.

Comprehensive two-dimensional gas chromatog. with time-of-flight mass spectrometry (GC × GC-TOF-MS) was combined with conventional mono-dimensional GC-MS to differentiate Croatian virgin olive oils (VOO) according to variety and geog. origin, based on the profile of volatile aroma compounds isolated by HS-SPME. More than 1000 compounds were detected after untargeted profiling and 256 were identified or tentatively identified, providing one of the most detailed profiles of volatile aroma compounds in VOO up to date. Among them, 131 volatile compounds were significantly different across monovarietal VOOs, while 60 were found useful for the discrimination according to geog. origin. Many major lipoxygenase and minor non-lipoxygenase-generated compounds were shown to have discriminating ability with respect to both factors. Multivariate statistical anal. extracted twenty-one volatile markers with the highest discriminant power for varietal differentiation. The approach reported may have practical application in better understanding, defining, managing, and communicating the varietal or geog. typicity of monovarietal VOOs.

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Pyrimidine | C4H4N2 – PubChem,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about [N,N-Bis(2-chloroethyl)-1,2-ethanediamine-N,N’]bis(3-methyl-2,4-pentanedionato-O,O’)cobalt(III) perchlorate: a potential hypoxia selective anticancer agent, the main research direction is mol structure cobalt chloroethylethanediamine methylpentanedionato.Application In Synthesis of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.

Crystals of the title compound are monoclinic, space group P21/c, with a 17.229(3), b 10.817(5), c 14.851(6) Å, and β 110.78(3)°; Z = 4, dc = 1.462; R(F2) = 0.050, Rw(F2) = 0.160 for 4049 reflections. The coordination geometry about Co is typical of an octahedral trischelate complex. The Co-N bond length involving the tertiary N atom of the bis(chloroethyl)ethanediamine ligand [2.092(4) Å] is significantly longer than that to the primary N atom [1.931(4) Å].

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Pyrimidine | C4H4N2 – PubChem,
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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Conversion of levulinic acid using CuO/WO3(x)-Al2O3 catalysts, published in 2021-05-01, which mentions a compound: 591-12-8, mainly applied to tungsten oxide alumina supported copper monoxide catalyst; levulinic acid conversion, HPLC of Formula: 591-12-8.

The CuO/WO3(x)-Al2O3 catalysts were tested for the conversion of levulinic acid into chems. of high added-value compounds The WO3(x)-Al2O3 modified supports with 5 different WO3 contents (2, 4, 6, 8, and 10 wt%) were prepared by the wet impregnation method, consequently 5 wt% CuO was impregnated on the modified supports. The optimum catalytic activity was obtained with CuO/WO3(6%)-Al2O3 catalyst, which was directly related to the highest acidity of the catalyst showed by NH3-TPD and acid strength by titration anal. The distribution of products observed on CuO/WO3(x)-Al2O3, was correlated with a change in acid site type and acid strength. The changes in the acidity by the addition of CuO over modified support was attributed to structural changes (distortions) stabilizing the active phase. This distortion is increasing the acidity strength, and favoring a higher catalytic activity with changes in the selectivity in function of CuO content over WO3(x)-Al2O3 modified support, obtaining the maximum formation of 2-MTHF and possibly other higher value-added chems. from GVL such as: 1,4-pentanediol, pentenoic acid, pentanoic acid, 2-pentanol, and gaseous products were on CuO/WO3(6%)-Al2O3 catalyst.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Sawaya, Christina; Horton, Roger; Meldrum, Brian published the article 《Transmitter synthesis and convulsant drugs: effects of pyridoxal phosphate antagonists and allylglycine》. Keywords: convulsant brain transmitter pyridoxal phosphate.They researched the compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride( cas:148-51-6 ).Formula: C8H12ClNO2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:148-51-6) here.

Glutamic acid decarboxylase (EC 4.1.1.15) (I) [9024-58-2] and dopa decarboxylase (EC 4.1.1.26) (II) [9042-64-2] in mouse brain homogenates were inhibited after administration of methyldithiocarbazinate [5397-03-5] (45 mg/kg, i.p.), thiosemicarbazide [79-19-6] (100 mg/kg, i.p.), or 4-deoxypyridoxine-HCl (III) [148-51-6] (250 mg/kg, i.p.); addition of pyridoxal phosphate [54-47-7] abolished the inhibition. I activity was inhibited by allylglycine (IV) [3182-77-2] in vivo (200 mg/kg, i.p.) and in vitro whereas II activity was unaffected. III (250 mg/kg, i.p.) decreased brain GABA [56-12-2] levels, increased homovanillic acid [306-08-1] and 5-hydroxyindoleacetic acid [54-16-0] levels, and did not alter dopamine [51-61-6] and serotonin [50-67-9] levels. Brain GABA levels were decreased by IV while monoamine and monoamine metabolite levels were unchanged. Inhibition of II activity is not the primary or critical mechanism in the convulsant action of hydrazides and IV.

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Pyrimidine | C4H4N2 – PubChem,
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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P. researched the compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ).Computed Properties of C5H6O2.They published the article 《Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles》 about this compound( cas:591-12-8 ) in Organic & Biomolecular Chemistry. Keywords: amino furanone chromene carbonitrile diastereoselective synthesis; multicomponent tandem Knoevenagel Pinner vinylogous Michael condensation sequence. We’ll tell you more about this compound (cas:591-12-8).

A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The β,γ-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Synthetic Route of C5H6O2.Thatikonda, Thanusha; Deepake, Siddharth K.; Das, Utpal published the article 《α-Angelica Lactone in a New Role: Facile Access to N-Aryl Tetrahydroisoquinolinones and Isoindolinones via Organocatalytic α-CH2 Oxygenation》 about this compound( cas:591-12-8 ) in Organic Letters. Keywords: tetrahydroisoquinolinone preparation; isoindolinone preparation; tetrahydroisoquinoline oxygenation organocatalyst; isoindoline oxygenation organocatalyst. Let’s learn more about this compound (cas:591-12-8).

A method for the direct oxidation of various N-aryl tetrahydroisoquinolines and isoindolines to the corresponding lactams using α-angelica lactone as a catalyst was developed. The utility of the method was further demonstrated by synthesis of indoprofen and indobufen.

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Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, is researched, Molecular C8H12ClNO2, CAS is 148-51-6, about Comparative study of the use of microörganisms in the screening of potential antitumor agents.

Collaborative studies were organized to include 16 microbial systems, with bacteria, fungi, and protozoa as the assay microörganisms. A series of 200 compounds were studied. It appears that 95% of the compounds adjudged to be tumor-active in animal assays can be detected by virtue of their inhibitory effects on microörganisms, with as few as 4 selected bioassay systems. 34 references

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Degradation of Cyclohexane to Benzene》. Authors are Willstatter, Richard; Hatt, Daniel.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Product Details of 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

cf. C. A., 6, 748.-The prepare of cyclohexene by heating cyclohexanol with (CO2H)2 (Zelinskii and Zelikov, Ber., 34, 3251) gives poor yields owing to the formation (15 g. from 60 g. of alc.) of dicyclohexyl oxalate, (CO2 C6H11)2, quadratic leaves, m. 42°. Brunel’s method (use of KHSO4, Bull. soc. chim. 33, 270) gives an 80% yield, together with (C6H11)2O, b. 97-8.5°,b737 259-40° (Ipatiev and Philipov, C. A., 3, 1014, give the b. p. as 275-7°). Cyclohexene dibromide, heated 9 hrs. at 110-5° in scaled tubes with 6 mols. NHMe2 in 18% C6H6 solution, gave 75% of δ-dimethylaminocyclohexene, b725 89-91.5°, b725 160.5-2.5°. Chloroplatinate, prisms, m. 185°. Methiodide, needles, m. 173-4° 1,3-Cyclohexadiene prepared by Crossley’s method from cyclohexene dibromide and quinoline (J.Chem.Soc., 85, 1403) contains cyclohexene, bromocyclohexene and C6H6 (20% of the latter in 145 g. of the crude product). Obtained pure by Harries’ method (C. A., 6, 108), It b72, 78.3-8.8°, d420 0.8404, nD20 1.47439,nα20 1.47025,nβ20 1.48516, nγ20 1.49491, MD 26.77, Mα 26.59, Mβ 27.19, Mγ 27.55, Mγ-α 0.97. It quickly absorbs 4 ats.H in the presence of Pt. With NHMe2 in cold concentrateC6H6 solution, the dibromide gives quant. Δ2-tetramethyldiaminocyclohexene, b10 90.5-2.5°, b725 219.5-3-5°, d40 0.920. Chloroplatinate, rhombic tablets, blacken 240°, decompose 259-60°. Methiodide, microscopic quadratic tables, m. 236° (decompose); the quaternary base obtained by the action of Ag2O on the methiodide, decompose, on evaporation of the solution, into C6H6 and NMe2, the temperature of decompose depending on the pressure (98-104° at atm. pressure with an 80-5% yield of C6H4; 40-50° under 20° mm.; -3° to 5° under 0.008-0.02 mm.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 148-51-6, is researched, Molecular C8H12ClNO2, about Convulsive seizure induced by intracerebral injection of semicarbazide (an anti-vitamin B6) in the mouse, the main research direction is semicarbazide convulsion; antivitamin B6 convulsion.Application of 148-51-6.

Intracerebral injection of semicarbazide-HCl (I) [563-41-7] was more effective than systemic administration in inducing convulsions and tremors in mice. The symptoms were prevented by pyridoxine [65-23-6], aminooxyacetic acid [645-88-5] and acetone [67-64-1], but were enhanced by pyridoxal [66-72-8], pyridoxal phosphate [54-47-7] and other anti-B6 agents. Smaller doses of I were required for induction of the symptoms in vitamin B6-deficient mice than in controls. I applied to the vicinity of the lambda caused running fits, followed by convulsions and tremors.

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