Tag: M.W=100-200

Dubinina, G. G.; Platonov, M. O.; Golovach, S. M.; Borysko, P. O.; Tolmachov, A. O.; Volovenko, Y. M. published the article 《Novel 5,7-disubstituted 6-amino-5H-pyrrolo[3,2-b]pyrazine-2,3-dicarbonitriles, the promising protein kinase inhibitors with antiproliferative activity》. Keywords: pyrrolopyrazinedicarbonitrile substituted preparation inhibitor protein kinase mol modeling; anticancer pyrrolopyrazinedicarbonitrile preparation antiproliferative human cancer cell line.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).SDS of cas: 56413-95-7. 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.

New derivatives of pyrrolo[2,3-b]pyrazine were synthesized and tested on a panel of cultured human tumor cell lines. It was found that 6-amino-5-(3-chlorophenylamino)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[3,2-b]pyrazine-2,3-dicarbonitrile (I) exhibited a significant antiproliferative activity: GI50 for cell lines RXF 393 (renal cancer) and BT-549 (breast cancer) were 14 and 82 nM, resp. To identify possible mol. targets, docking of the most active compounds into the active sites of cyclin-dependent kinases was performed. Mol. modeling of the inhibitor-enzyme complexes showed the differences in the binding poses of new pyrrolo[2,3-b]pyrazine derivatives in the kinase ATP-binding site compared with known pyrrolo[2,3-b]pyrazine inhibitors called aloisines. The patterns of drug kinase interactions correlated well with antiproliferative activities of novel derivatives Key interactions and binding mode of docked compounds are discussed.

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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

Application In Synthesis of cis-4-Aminocyclohexane carboxylic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors. Author is Ontoria, Jesus M.; Rydberg, Edwin H.; Di Marco, Stefania; Tomei, Licia; Attenni, Barbara; Malancona, Savina; Martin Hernando, Jose I.; Gennari, Nadia; Koch, Uwe; Narjes, Frank; Rowley, Michael; Summa, Vincenzo; Carroll, Steve S.; Olsen, David B.; De Francesco, Raffaele; Altamura, Sergio; Migliaccio, Giovanni; Carfi, Andrea.

The hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase (RdRp) plays a central role in virus replication. NS5B has no functional equivalent in mammalian cells and, as a consequence, is an attractive target for inhibition. Herein, we present 1H-benzo[de]isoquinoline-1,3(2H)-diones as a new series of selective inhibitors of HCV NS5B polymerase. The HTS hit 1 shows submicromolar potency in two different HCV replicons (1b and 2b) and displays no activity on other polymerases (HIV-RT, Polio-pol, GBV-b-pol). These inhibitors act during the pre-elongation phase by binding to NS5B non-nucleoside binding site Thumb Site II as demonstrated by crystal structure of compound 1 with the ΔC55-1b and ΔC21-2b enzymes and by mutagenesis studies. SAR in this new series reveals inhibitors, such as 20, with low micromolar activity in the HCV replicon and with good activity/toxicity window in cells.

Here is just a brief introduction to this compound(3685-23-2)Application In Synthesis of cis-4-Aminocyclohexane carboxylic acid, more information about the compound(cis-4-Aminocyclohexane carboxylic acid) is in the article, you can click the link below.

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

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: 56413-95-7, is researched, Molecular C6Cl2N4, about Syntheses and spectral properties of new dicyanopyrazine-related heterocycles from diaminomaleonitrile, the main research direction is dicyanopyrazine precursor fluorescent dye synthesis; quinoxaline dye preparation dicyanopyrazine precursor; furopyrazine dye preparation dicyanopyrazine precursor; pyrrolopyrazine dye preparation dicyanopyrazine precursor; pyrazinoporphyrazine dye preparation dicyanopyrazine precursor.Quality Control of 5,6-Dichloropyrazine-2,3-dicarbonitrile.

New dicyanopyrazine-related heterocycles such as quinoxalines, furopyrazines, pyrrolopyrazines, and pyrazinoporphyrazines were synthesized and their absorption and fluorescence spectra were correlated with their structures.

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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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56413-95-7, is researched, SMILESS is N#CC1=NC(Cl)=C(Cl)N=C1C#N, Molecular C6Cl2N4Journal, Article, Research Support, Non-U.S. Gov’t, Journal of Organic Chemistry called Role of Steric Hindrance in the Newman-Kwart Rearrangement and in the Synthesis and Photophysical Properties of Arylsulfanyl Tetrapyrazinoporphyrazines, Author is Novakova, Veronika; Miletin, Miroslav; Filandrova, Tereza; Lenco, Juraj; Ruzicka, Ales; Zimcik, Petr, the main research direction is zinc phthalocyanine complex preparation fluorescence; crystal structure bisarylsulfanyl pyrazinedicarbonitrile.Computed Properties of C6Cl2N4.

Conditions for the Newman-Kwart rearrangement of phenols into thiophenols were studied in relation to the bulkiness of substituents at the 2 and 6 positions of the starting phenol derivative with an emphasis on eliminating side reactions. Thiophenols with different 2,6-disubstitution patterns (including hydrogen, Me, iso-Pr or tert-Bu groups) were used for the synthesis of 5,6-bis(arylsulfanyl)pyrazine-2,3-dicarbonitriles that underwent cyclotetramerization leading to the corresponding zinc tetrapyrazinoporphyrazines (TPyzPz), aza-analogs of phthalocyanines. Several methods for the cyclotetramerization were attempted to eliminate problematic side reactions. Magnesium butoxide is the most suitable cyclotetramerization agent and afforded TPyzPzs in reasonable yields of ∼30% under mild conditions. The varying arrangements of the peripheral substitutions resulting from the different bulkiness of the substituents were demonstrated by the x-ray structures of the pyrazine-2,3-dicarbonitriles. The prepared zinc arylsulfanyl TPyzPzs showed an absorption maximum at a Q-band over 650 nm, fluorescence quantum yields between 0.078 and 0.20, and singlet oxygen quantum yields ranging 0.58-0.69. TPyzPzs with iso-Pr groups are the best derivatives in this series as they combined facile cyclotetramerization, no aggregation, and good photophys. properties, which makes them potentially suitable for photodynamic therapy.

Here is just a brief introduction to this compound(56413-95-7)Computed Properties of C6Cl2N4, more information about the compound(5,6-Dichloropyrazine-2,3-dicarbonitrile) is in the article, you can click the link below.

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

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis of pyrido[1′,2′:1,2]imidazo[4,5-b]pyrazines from 2-amino-3-chloro-5,6-dicyanopyrazine with substituted pyridines, published in 1986-12-31, which mentions a compound: 56413-95-7, Name is 5,6-Dichloropyrazine-2,3-dicarbonitrile, Molecular C6Cl2N4, Reference of 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Novel synthesis of the title compounds by the cyclization between 2-amino-3-chloro-5,6-dicyanopyrazine (I) and various substituted pyridines is described. E.g., heating I with pyridines II (R = Me, Pr, Me3C, PhCH2, CONH2, CO2Me, Ph, 2-pyridyl) in DMF at 90° for 48 h gave 14-72% pyridoimidazopyrazines III.

Here is just a brief introduction to this compound(56413-95-7)Reference of 5,6-Dichloropyrazine-2,3-dicarbonitrile, more information about the compound(5,6-Dichloropyrazine-2,3-dicarbonitrile) is in the article, you can click the link below.

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 《A suitable solvent for molecular-weight determinations according to Rast》. Authors are Wendt, Gerhard.The article about the compound:cis-4-Aminocyclohexane carboxylic acidcas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O).Recommanded Product: 3685-23-2. Through the article, more information about this compound (cas:3685-23-2) is conveyed.

The lactam (I) of cis-hexahydro-p-aminobenzoic acid (II), m. 196°, results in 3.3-g. yield from 5 g. of the mixture of cis- and trans-II. For the separation of the 2 isomers of II, the hydrogenation product from 4 g. of p-H2NC6H4CO2H in 20 cc. H2O is treated with 180 cc. absolute EtOH to precipitate 1.9 g. crude cis-II, 2 crystallizations of which from dilute EtOH give the pure acid, m. 304-5°, sublimes 210-20°/6 × 10-4 mm.; contrary to the observation of Orthner and Hein (C. A. 27, 4776) the acid melts before sublimation; their transformation of the cis to the trans acid could not be verified. Addition of 400 cc. ether to the filtrate from the cis acid gives (standing 24 hrs.) 1.9 g. crude trans acid; this is purified by solution in 10 cc. H2O and precipitation with 125 cc. absolute EtOH; it m. 186-8° (decomposition), sublimes 210-20°/3 × 10-4 mm. I is a suitable substitute for camphor in the mol.-weight determination according to Rast. The m.-p. lowering constant is 40 (the same as camphor); the molar heat of melting is 1.37 kg.-cal. (for camphor 1.55 kg.-cal.). Because of the solubility in I, it is specially suitable for the determination of the mol. weights of di- and tripeptides (e. g., Me p-aminobenzoyl-p-aminobenzoate, Me p-nitrobenzoyl-p-aminobenzoyl-p-aminobenzoate, leucylglycine, glycylleucine), disaccharides (e. g., saccharose and cellobiose) and nucleosides (e. g., uridine and adenosine), most of which are insoluble in camphor. However, certain compounds (uric acid, creatine, glycylglycine) are insoluble in I.

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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 《Stereochemical investigations of 1,4-substituted cyclohexane derivatives. 4-Hydroxy- and 4-aminocyclohexane-1-carboxylic acid and their esters; and 4-hydroxy-1-hydroxymethylcyclohexane》. Authors are Schneider, Woldemar; Huettermann, A..The article about the compound:cis-4-Aminocyclohexane carboxylic acidcas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O).Electric Literature of C7H13NO2. Through the article, more information about this compound (cas:3685-23-2) is conveyed.

Malonic ester synthesis with ethyl β-chloropropionate, followed by ring closure of the product obtained gave 4-hydroxy-1-cyclohexanone (I). Hydrogenation of I (Raney-Ni, atm. pressure, room temperature) in alk. medium gave cis-4-hydroxycyclohexane-1-carboxylic acid (cis-II), m. 152°; Et ester, (cis-III) b12 130°. Hydrogenation of ethyl 4-hydroxybenzoic acid (Raney-Ni, 150 atm., 150°) gave trans-III, b13 139-140°, saponification of which gave the trans-II, m. 119.5°. Reduction of trans-III with Na-EtOH or LiAlH4, gave a cis-trans mixture of 4-hydroxy-1-hydroxymethylcyclohexane (IV), from which the trans isomer (V) was separated, m. 104°; the cis isomer (VI) was recovered by distillation from the residue. Hydrogenation of ethyl 4-aminobenzoic acid (Ru-C, 110 atm., 80°) gave a cis-trans mixture of 4-amino-1-carbethoxycyclohexane (VII), which was separated by distillation, giving cis-VII and trans-VII. The exptl. determined dipole moments (μ in Debye units) of these compounds are: cis-II 2.10 ± 0.1, trans-II 246 ± 0.002, cis-III 2.86 ± 0.03, trans-III 2.56 ± 0.04, VI 2.29 ± 0.02, V 2.60 ± 0.1, cis-VII 2.60 ± 0.01, and trans-VII 2.44 ± 0.02.

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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.Lee, Bum Hoon; Jaung, Jae Yun; Jeong, Sung Hoon researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Category: chiral-oxygen-ligands.They published the article 《Synthesis and dyeing properties of dicyanopyrazine dyes》 about this compound( cas:56413-95-7 ) in Journal of the Korean Fiber Society. Keywords: cyanopyrazine dye preparation use polyamide polyester. We’ll tell you more about this compound (cas:56413-95-7).

Reaction of 2,3-dichloro-5,6-dicyanopyrazine with various Fischer’s base type enamines gave the corresponding 2-chloro-5,6-dicyanopyrazine derivatives The reactive-disperse dyes showed large differences in λmax from solution to solid state resulting from strong intermol. π-π interactions. These dyes have rather small mol. size but have a strong intramol. charge-transfer chromophoric system. The absorption maxima of these compounds were observed at 463∼560 nm. The electronic character of the substituents in the dyes strongly affects their absorption spectra, producing bathochromic shifts depending on both the basicity of the heterocyclic moiety and the enlargement of the π-conjugated system. The dyeability of 2 of the dyes toward polyester and nylon fiber were generally good. Wash, perspiration, and rubbing fastness were excellent, while light fastness was poor, probably due to the oxidation of the enamine moiety.

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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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 3685-23-2, is researched, SMILESS is N[C@H]1CC[C@H](CC1)C(O)=O, Molecular C7H13NO2Journal, Pharmaceutical Chemistry Journal (Translation of Khimiko-Farmatsevticheskii Zhurnal) called Synthesis and antitumor activity of nonsymmetric phosphoric acid triamides, Author is Kosykhova, L.; Palaima, A.; Stumbryavichyute, Z., the main research direction is phosphoric acid triamide nonsym preparation acute toxicity antitumor activity; amide phosphoric acid nonsym preparation acute toxicity antitumor activity.Reference of cis-4-Aminocyclohexane carboxylic acid.

R1R2P(O)NHR3 (R1, R2 independently = aziridino, N(CH2CH2Cl)2, NMe2, morpholino or NHCH2CH2OH; R3 = 4-R-substituted cyclohexyl (R = H, cis- and trans-CO2H, cis- and trans-CO2Et)) were prepared and tested for acute toxicity and antitumor activity. All the 12 tested compounds possess a lower antitumor activity as compared to that of the reference drug thiophosphamide. The antitumor activity of nonsym. phosphoric acid triamides is determined for the most part by the nature of amide residues attached at the P atom. The antitumor effect can be varied within a broad range by changing this residue, the maximum antitumor activity being inherent in nonsym. triamides containing the ethylenimine residue.

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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

Musil, Zbynek; Zimcik, Petr; Miletin, Miroslav; Kopecky, Kamil; Lenco, Juraj published the article 《Synthesis, separation and UV/Vis spectroscopy of pyrazino-quinoxalinoporphyrazine macrocycles》. Keywords: zinc pyrazino quinoxalino porphyrazine macrocycle complex preparation.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).COA of Formula: C6Cl2N4. 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.

Unsym. metal-free and zinc complexes of pyrazino/quinoxalino-porphyrazines (PQP) bearing eight diethylamino groups were synthesized by statistical tetramerization of 2,3-bis(diethylamino)quinoxaline-6,7-dicarbonitrile and 5,6-bis(diethylamino)pyrazine-2,3-dicarbonitrile in lithium butanolate. For this purpose, a new heteroatom-substituted quinoxaline precursor, 2,3-dichloroquinoxaline-6,7-dicarbonitrile, was prepared and characterized. It is a flexible starting material for new building blocks of quinoxaline-6,7-dicarbonitrile derivatives All the PQPs (including adjacent and opposite isomers) from the statistical mixture were detected and separated by column chromatog. on silica and characterized by MALDI-TOF mass spectrometry, IR, UV/visible and NMR spectroscopy. The effect of the insertion of benzene rings into the tetrapyrazinoporphyrazine (TPP) system is discussed. Each benzene ring insertion into the TPP system causes a bathochromic shift of 22 nm; the dependence is linear. The final tetra[6,7]quinoxalinoporphyrazines were red shifted to 744 and 763 nm for the zinc and metal-free derivative, resp. Splitting of the Q-band was observed for PQPs with lower symmetry.

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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