Month: April 2022

Application In Synthesis of 3-Methyl-1H-pyrrole. 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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Computational Design and Electropolymerization of Molecularly Imprinted Poly(p-Aminobenzoic-Acid-Co-Dapsone) Using Multivariate Optimization for Tetradifon Residue Analysis. Author is Ganjeizadeh Rohani, Fatemeh; Mohadesi, Alireza; Ansari, Mehdi.

In this study, tetradifon as a non-electroactive pesticide was measured by a new gold electrode modified with electropolymerized molecularly imprinted poly(para aminobenzoic acid-co-4,4-diaminodiphenyl sulfone) (P-pABA-co-DDS). The best available monomer was selected based on computational design and then the polymer was developed in optimized condition. Screening of various factors was performed by Plackett-Burman design (PBD) and central composite design (CCD) was utilized to select optimized condition. Under the optimized condition, calibration curve of tetradifon on MIP/gold electrode was constructed with a linear range of 0.05- 2.50μM. The limit of detection (LOD) and limit of quantification (LOQ) was found to be 0.014 and 0.047μM, resp. The developed method showed good stability, repeatability, and reproducibility, sensitivity and selectivity for tetradifon. The developed method was applied to determine tetradifon in real water samples.

From this literature《Computational Design and Electropolymerization of Molecularly Imprinted Poly(p-Aminobenzoic-Acid-Co-Dapsone) Using Multivariate Optimization for Tetradifon Residue Analysis》,we know some information about this compound(616-43-3)Application In Synthesis of 3-Methyl-1H-pyrrole, but this is not all information, there are many literatures related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

SDS of cas: 56413-95-7. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Studies on herbicidal 2,3-dicyanopyrazines. Part II. Structure-activity relationships of herbicidal 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines. Author is Nakamura, Akira; Ataka, Toshiei; Segawa, Hirozo; Takeuchi, Yasutomo; Takematsu, Tetsuo.

Sixty-eight 6-substituted 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines were synthesized and their herbicidal activities against barnyard grass (Echinochloa crus-galii) were measured in pot tests. The most active compound was 2,3-dicyano-5-propylamino-6-(m-chlorophenyl)pyrazine  [72113-45-2]. The activities of the 2 series of compounds were analyzed quant. using the hydrophobic and steric parameters of substituents at the 6-position of the pyrazine ring and an indicator variable.

From this literature《Studies on herbicidal 2,3-dicyanopyrazines. Part II. Structure-activity relationships of herbicidal 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines》,we know some information about this compound(56413-95-7)SDS of cas: 56413-95-7, but this is not all information, there are many literatures related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

HPLC of Formula: 616-43-3. 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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Decoys for Docking.

Mol. docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding mols. over true ligands. These false-pos. hits may be considered “”decoys””. Although these decoys are frustrating, they potentially provide important tests for a docking algorithm; the more subtle the decoy, the more rigorous the test. Indeed, decoy databases have been used to improve protein structure prediction algorithms and protein-protein docking algorithms. Here, we describe 20 geometric decoys in five enzymes and 166 “”hit list”” decoys-i.e., mols. predicted to bind by our docking program that were tested and found not to do so – for β-lactamase and two cavity sites in lysozyme. Especially in the cavity sites, which are very simple, these decoys highlight particular weaknesses in our scoring function. We also consider the performance of five other widely used docking scoring functions against our geometric and hit list decoys. Intriguingly, whereas many of these other scoring functions performed better on the geometric decoys, they typically performed worse on the hit list decoys, often highly ranking mols. that seemed to poorly complement the model sites. Several of these “”hits”” from the other scoring functions were tested exptl. and found, in fact, to be decoys. Collectively, these decoys provide a tool for the development and improvement of mol. docking scoring functions. Such improvements may, in turn, be rapidly tested exptl. against these and related exptl. systems, which are well-behaved in assays and for structure determination

From this literature《Decoys for Docking》,we know some information about this compound(616-43-3)HPLC of Formula: 616-43-3, but this is not all information, there are many literatures related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Electric Literature of C6Cl2N4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Preparation, Characterization, and FET Properties of Novel Dicyanopyrazinoquinoxaline Derivatives. Author is Nishida, Junichi; Naraso; Murai, Shio; Fujiwara, Eiichi; Tada, Hirokazu; Tomura, Masaaki; Yamashita, Yoshiro.

A series of the title dicyanopyrazinoquinoxaline derivatives have been prepared and characterized by using single-crystal X-ray structure anal. and redox potential measurements. They have strong electron-accepting properties due to the pyrazinopyrazine skeletons as well as the cyano groups. Substituents can be easily introduced at the benzene ring and control the HOMO-LUMO energy gap and the mol. packing. They show clear n-type transistor properties in the FET devices.

From this literature《Preparation, Characterization, and FET Properties of Novel Dicyanopyrazinoquinoxaline Derivatives》,we know some information about this compound(56413-95-7)Electric Literature of C6Cl2N4, but this is not all information, there are many literatures related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

HPLC of Formula: 616-43-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Improved preparation of 3-methylpyrrole. Laboratory note. Author is Elguero, Jose; Jacquier, Robert; Shimizu, Bernard.

An improved synthesis of 3-methylpyrrole (I) and the N.M.R. spectra of the intermediates and product are given. Thus, 20 g. 3-carbethoxy-4-methyl-2-pyrrolecarboxylic acid is refluxed 1 hr. with 300 ml. 40% KOH, cooled, acidified with dilute HCl, filtered, washed with water, and dried to give 70% 4-methylpyrrole-2,3-dicarboxylic acid (II), m. 225°. II (12 g.) is added to 1 g. powd. Cu and heated under 50 mm. to dist. 87% I.

From this literature《Improved preparation of 3-methylpyrrole. Laboratory note》,we know some information about this compound(616-43-3)HPLC of Formula: 616-43-3, but this is not all information, there are many literatures related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Phthalocyanines and Tetrapyrazinoporphyrazines with Two Cationic Donuts: High Photodynamic Activity as a Result of Rigid Spatial Arrangement of Peripheral Substituents.Computed Properties of C6Cl2N4.

High photodynamic activity was observed for hexadeca-cationic zinc, magnesium, and metal-free phthalocyanines (Pcs) and tetrapyrazinoporphyrazines with EC50 values as low as 5 nM (MCF-7 cells) for the best compound; this activity was several times better than that of clin. established photosensitizers verteporfin, temoporfin, S3AlOHPc, or protoporphyrin IX. This lead compound was characterized by low dark toxicity (TC50 = 369 μM), high efficiency against other cell lines (HCT 116 and HeLa), and possible activation by light above 680 nm. The excellent photodynamic activity resulted from the rigid spatial arrangement of the quaternized triazole moieties above and below the Pc core, as confirmed by X-ray crystallog. The triazole moieties thus formed two “”cationic donuts”” that protected the hydrophobic core against aggregation in water. The lysosomes were found to be the site of subcellular localization and were consequently the primary targets of photodynamic injury, resulting in predominantly necrotic cell death.

From this literature《Phthalocyanines and Tetrapyrazinoporphyrazines with Two Cationic Donuts: High Photodynamic Activity as a Result of Rigid Spatial Arrangement of Peripheral Substituents》,we know some information about this compound(56413-95-7)Computed Properties of C6Cl2N4, but this is not all information, there are many literatures related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthesis of an octadecapeptide and its 18-amide analog corresponding to the first eighteen amino acid residues of corticotropin (ACTH) and their biological activities》. Authors are Otsuka, Hideo; Inouye, Ken; Shinozaki, Fusako; Kanayama, Makoto.The article about the compound:cis-4-Aminocyclohexane carboxylic acidcas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O).Computed Properties of C7H13NO2. Through the article, more information about this compound (cas:3685-23-2) is conveyed.

The title compound (I) and its 18-amide analog (II) were synthesized. The activities of I, II, H-Gly-Tyr-Ser-Met-Glu-His-Phe-Arg-Try-Gly-Lys-Pro-Val-Gly-Arg-Arg-OH (III) (CA 63, 670f), and H-Gly-Tyr-Ser-Met-Glu-His-Phe-Arg-Try-Gly-Lys-Pro-Val-Gly-Lys-Arg-Arg-NH2 (IV) (CA 63, 16462d) were compared (cf. the table). (BOC = tert-BuO2C and Cbz = PhCH2O2C). Steroidogenic U.S.P. units/mg., Lipolytic minimal effective dose (γ); In vivo, In vitro, Rabbit, Rat; I, 17.07, 9.35, 0.000075, 0.0045; II, 39.6;58.0, 4.7;11.5, 0.000004, 0.0027; III, 0.124, 0.134, 0.00093, 0.021; IV, 2.72; 1.26, 0.00042, 0.0037; Coupling of BOC-Ser-Tyr-Ser-Met-N3 with H-Glu(γ-tert-Bu)-His-Phe-Arg-Try-Gly-OH gave BOC-Ser-Tyr-Ser-Met-Glu(γ-tert-Bu)-His-Phe-Arg-Try-Gly-OH (V), m. 202° (decomposition), [α]24D -13.2° (c 1.0, HCONMe2). Reaction of Cbz-Lys(BOC)-Pro-Val-Gly-Lys(BOC)-N3 with either H-Lys(BOC)-Arg-Arg-OH or its amide gave Cbz-Lys(BOC)-Pro-Val-Gly-Lys(BOC)-Lys(BOC)-Arg-Arg-OH (VI), [α]25.5D -46.1° (c 1.0, 50% AcOH), or its amide (VII), [α]22.5D -43.7° (c 1.75, 50% AcOH). Coupling of N-hydroxysuccinimide ester of V with the hydrogenolyzed VI or VII gave BOC-Ser-Tyr-Ser-Met-Glu(γ-tert-Bu)-His-Phe-Arg-Try-Gly-Lys(BOC)-Pro-Val-Gly-Lys(BOC)-Lys(BOC)-Arg-Arg-OH (VIII) or its amide (IX), resp. VIII was purified on carboxymethyl cellulose columns and treated with 90% F3CCO2H to give I, λ (0.1N NaOH) 281.5 mμ (ε 7030), 288.5 mμ (ε 6820), [α]25D -54.6° (c 0.5, 0.1N AcOH). Similarly, IX gave II, λ (0.1N NaOH) 281.5 mμ (ε 7050), 288.5 mμ (ε 6740), [α]24D -55.8° (c 0.5, 0.1N AcOH). Amino acid analysis of I and II confirmed their structures.

From this literature《Synthesis of an octadecapeptide and its 18-amide analog corresponding to the first eighteen amino acid residues of corticotropin (ACTH) and their biological activities》,we know some information about this compound(3685-23-2)Computed Properties of C7H13NO2, but this is not all information, there are many literatures related to this compound(3685-23-2).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Kostka, Miroslav; Zimcik, Petr; Miletin, Miroslav; Klemera, Petr; Kopecky, Kamil; Musil, Zbynek published the article 《Comparison of aggregation properties and photodynamic activity of phthalocyanines and azaphthalocyanines》. Keywords: phthalocyanine preparation aggregation photodynamic property; azaphthalocyanine preparation aggregation photodynamic property.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile. 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:56413-95-7) here.

Phthalocyanines (Pc) and their aza-analogs azaphthalocyanines (AzaPc) (tetrapyrazinoporphyrazines) with eight n-octylsulfanyl or tert-butylsulfanyl peripheral substituents and different central metals (Mg, Zn, metal-free) were synthesized. Dimerization constants Kd and absorption spectra of pure monomeric and dimeric magnesium complexes in toluene were calculated using series of absorbances at different concentrations The bulky tert-butylsulfanyl substituents were found to be much better inhibitors of aggregation than long alkyl chains. Also Pc are less aggregated in organic solvents then AzaPc, short explanation is given. Singlet oxygen production of Pc and AzaPc was compared using dye-sensitized photooxidation of 1,3-diphenylisobenzofuran in pyridine. Both Pc and AzaPc showed similar activity not dependent on type of peripheral substitution. Zinc complexes of both Pc and AzaPc exceeded the magnesium ones and metal-free dyes in singlet oxygen production approx. twice.

From this literature《Comparison of aggregation properties and photodynamic activity of phthalocyanines and azaphthalocyanines》,we know some information about this compound(56413-95-7)Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile, but this is not all information, there are many literatures related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

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.Buurman, P.; Nierop, K. G. J.; Kaal, J.; Senesi, N. researched the compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ).Product Details of 616-43-3.They published the article 《Analytical pyrolysis and thermally assisted hydrolysis and methylation of EUROSOIL humic acid samples – A key to their source》 about this compound( cas:616-43-3 ) in Geoderma. Keywords: humic acid Eurosoil aliphaticity lignin. We’ll tell you more about this compound (cas:616-43-3).

Humic acids have been widely investigated by spectroscopic methods, especially NMR and FTIR, and they are known to show significant differences according to their origin. Low resolution methods such as NMR and FTIR, however cannot easily distinguish different input sources or establish relations between SOM chem. and vegetation or land use in general. High resolution methods, such as anal. pyrolysis and pyrolysis combined with methylation do offer such possibilities. Therefore, HAs from five reference soils called the Eurosoils, including a Vertic Cambisol (E1, Italy), a Rendzina (E2, Greece), a Dystic Cambisol (E3, Great Britain), an Orthic Luvisol (E4, France) and an Orthic Podzol (E5, Germany), that were previously characterized a.o. by NMR, FTIR and ESR, were also analyzed by pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and thermally assisted hydrolysis and methylation (THM) and subsequent anal. by GC/MS. The Orthic Podzol sample showed the largest aliphaticity, and the strongest degradation of aliphatics and lignin. The Dystric Cambisol featured the least decomposed HA, which was reflected by a large content of long-chain alkanes, and little lignin degradation Both the Dystric Cambisol and the Orthic Luvisol HAs contained a significant amount of microbial organic matter. Polyaromatics, which indicate the presence of charred material, were most abundant in the Vertic Cambisol and the Podzol HAs and lowest in the Dystric Cambisol and the Rendzina HAs. THM was able to distinguish between the various vegetations/land uses. Although quantifications by NMR and py-GC/MS are essentially different, the general results largely coincided. NMR appears to underestimate aromaticity and overestimate aliphaticity, but a mol. mixing model yielded reasonable correlations between NMR and pyrolysis data. Classification by degradation state’ based on py-GC/MS largely coincided with acidity determined by titration, but FTIR data did not coincide. Py-GC/MS, with its much larger resolution, is a better tool to distinguish effects of vegetation, microbial input, and degradation HA’s produce the same variety of compounds upon pyrolysis as total SOM extracts and are therefore chem. not more simple than SOM. HA chem., however can be understood in the light of land use history and SOM dynamics.

From this literature《Analytical pyrolysis and thermally assisted hydrolysis and methylation of EUROSOIL humic acid samples – A key to their source》,we know some information about this compound(616-43-3)Product Details of 616-43-3, but this is not all information, there are many literatures related to this compound(616-43-3).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Electric Literature of C6Cl2N4. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about New fused nitrogen-rich heterocycles from 5,6-dichloropyrazine-2,3-dicarbonitrile. Author is Ried, Walter; Tsiotis, Georgios.

The reaction of the title compound with amines gave 34-82% pyrazines I (R = morpholino, piperidino, 1-pyrrolidinyl, Et2N, Me2N; RR = R1N(CH2)nNR1, R1 = Et, Ph, PhCH2, n = 2, R1 = Et, n = 3) and II (R2 = R3 = H, Me; R2 = H, R3 = Me, Cl; R2 = Me, R3 = Cl), which, upon treatment with N2H4, gave 25-61% III-V.

From this literature《New fused nitrogen-rich heterocycles from 5,6-dichloropyrazine-2,3-dicarbonitrile》,we know some information about this compound(56413-95-7)Electric Literature of C6Cl2N4, but this is not all information, there are many literatures related to this compound(56413-95-7).

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate