Tag: M.W=100-150

Verhoest, Patrick R. published the artcileDiscovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920)(I) for the Treatment of Schizophrenia, Category: imidazoles-derivatives, the main research area is schizophrenia phosphodiesterase 10A inhibitor PDE10A pyrazole derivative.

By utilizing structure-based drug design (SBDD) knowledge, a novel class of phosphodiesterase (PDE) 10A inhibitors was identified. The structure-based drug design efforts identified a unique “”selectivity pocket”” for PDE10A inhibitors, and interactions within this pocket allowed the design of highly selective and potent PDE10A inhibitors. Further optimization of brain penetration and drug-like properties led to the discovery of 2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) (I). This PDE10A inhibitor is the first reported clin. entry for this mechanism in the treatment of schizophrenia.

Journal of Medicinal Chemistry published new progress about Molecular modeling. 82090-52-6 belongs to class imidazoles-derivatives, name is Imidazo[1,2-a]pyridin-2-ylmethanol, and the molecular formula is C8H8N2O, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Demissie, Taye B. published the artcileMechanism and Site Selectivity in Visible-Light Photocatalyzed C-H Functionalization: Insights from DFT Calculations, Recommanded Product: Imidazo[1,2-c]pyrimidine, the main research area is selectivity visible photocatalyzed carbon hydrogen functionalization DFT.

Visible-light photocatalyzed (VLPC) late-stage C-H functionalization is a powerful addition to the chem. synthesis toolkit. VLPC has a demonstrated potential for discovery of elusive and valuable transformations, particularly in functionalization of bioactive heterocycles. To fully harvest the potential of VLPC in the context of complex mol. synthesis, a thorough understanding of the elementary processes involved is crucial. This would enable more rational design of suitable reagents and catalysts, as well as prediction of activated C-H sites for functionalization. Such knowledge is essential when VLPC is to be employed in retrosynthetic anal. of complex mols. Herein, the authors present a d. functional theory (DFT) study of mechanistic details in the C-H functionalization of bioactive heterocycles exemplified by the methylation of the antifungal agent voriconazole. Also, readily computed at. charges can predict major site-selectivity in good agreement with exptl. studies and thus be informative tools for the identification of active C-H functionalization sites in synthetic planning.

Journal of Organic Chemistry published new progress about C-C bond cleavage. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Recommanded Product: Imidazo[1,2-c]pyrimidine.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Sen, A. K. published the artcileSynthetic studies in the purine series: a new synthesis of theobromine and related compounds, Category: imidazoles-derivatives, the main research area is theobromine synthesis; purine alkyl; xanthine alkyl; imidazolecarboxamide amino cyclization carbonate; cyclization aminoimidazolecarboxamide carbonate; rearrangement aminoimidazoecarboxamide.

The imidazoles I (R = Me, H2C:CHCH2, PhCH2, Ph, R1 = CONH2) were methylated with p-MeC6H4SO3Me and the quaternary salts rearranged with NaOH to give the imidazoles II, which were cyclized with (EtO)2CO to give the xanthines III. I (R = PhCH2, R1 = CN) was similarly converted to 4-(benzylamino)-5-cyano-1-methylimidazole. III (R = PhCH2, Ph) were methylated with Me2SO4 to give the 1,7-dimethylxanthines.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about Cyclocondensation reaction. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Galasso, Vinicio published the artcileElectronic structure and absorption spectra of indolizines, Product Details of C6H5N3, the main research area is INDOLIZINES SPECTRA.

The electronic structure and spectra of indolizine and a large number of its aza-derivatives have been calculated by the S.C.F.M.O.-C.I. method, taking into account all the singlet monoexcited configurations. The results are in good agreement with the experiment The assignment of the observed bands is also discussed. 17 references.

Theoretica Chimica Acta published new progress about Electron configuration. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Product Details of C6H5N3.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Chattopadhyay, Gautam published the artcileA domino type one-flask synthesis of 1-substituted-5-aminoimidazole-4-carboxamides and ring transformation to pyrazine under microwave through suitable aminoimidazoliumcarboxamide, COA of Formula: C5H8N4O, the main research area is aminoimidazolecarboxamide preparation ring expansion; imidazolecarboxamide amino preparation ring expansion; pyrazinone preparation; oximinocyanoacetamide amine reductive heterocyclization.

Reductive heterocyclization of H2NCOC(:NOH)CN in the presence of HC(OEt)3 and appropriate amines affords 1-substituted 5-aminoimidazole-4-carboxamides. 4-Amino-5-carboxamido-3-diphenylmethyl-1-phenacylimidazolium bromide, generated in situ from 5-amino-1-(diphenylmethyl)imidazole-4-carboxamide, furnishes a ring-expanded pyrazine, 3-{amino[(diphenylmethyl)amino]methylene}-6-phenyl-2-pyrazinone, with methanolic alkali under microwave irradiation in excellent yield.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about Microwave irradiation. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, COA of Formula: C5H8N4O.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Khan, Abdul Hakim published the artcileElectronic structure and spectra of indolizine and its aza derivatives, SDS of cas: 274-78-2, the main research area is PPP indolizine azaindolizine diazaindolizine electronic structure.

Indolizine and its aza derivatives were studied theor. using the method of Pariser, Parr and Pople modified by Dewar and Harget. The ground-state properties such as bond length, charge d., reactivity and π-dipole moment and other properties such as ionization potential, electron affinity, half-wave reduction potential and π* ← π spectra were predicted and correlated with the exptl. results where available.

Journal of the Indian Chemical Society published new progress about Atomization enthalpy. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, SDS of cas: 274-78-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Oguchi, Minoru published the artcileMolecular Design, Synthesis, and Hypoglycemic Activity of a Series of Thiazolidine-2,4-diones, Recommanded Product: Imidazo[1,2-a]pyridin-2-ylmethanol, the main research area is thiazolidinedione preparation hypoglycemic insulin resistance structure.

A series of imidazopyridine thiazolidine-2,4-diones were designed and synthesized from their corresponding pyridines. These compounds represent conformationally restricted analogs of the novel hypoglycemic compound rosiglitazone. The series was evaluated for its effect on insulin-induced 3T3-L1 adipocyte differentiation in vitro and its hypoglycemic activity in the genetically diabetic KK mouse in vivo. The structure-activity relationships are discussed. On the basis of the in vivo potency, 5-[4-(5-methoxy-3-methyl-3H-imidazo[4,5-b]pyridin-2-ylmethoxy)benzyl]thiazolidine-2,4-dione was selected as the candidate for further studies in a clin. setting.

Journal of Medicinal Chemistry published new progress about Antidiabetic agents. 82090-52-6 belongs to class imidazoles-derivatives, name is Imidazo[1,2-a]pyridin-2-ylmethanol, and the molecular formula is C8H8N2O, Recommanded Product: Imidazo[1,2-a]pyridin-2-ylmethanol.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Evleth, Earl M. published the artcileSystematics of the electronic absorption spectra of fused 5-6 ring heterocyclics, HPLC of Formula: 274-78-2, the main research area is heterocyclics electronic spectra; electronic spectra heterocyclics; aza substitution spectral effect; indolizines spectra.

The electronic absorption spectra of indene, indole, benzofuran isoindole, indolizine, and 1- and 2-pyrindine are rationalized by using semiempirical SCF-configuration interaction calculations The absorption spectra of these materials are also rationalized by using indenyl anion as the common perturbational model. Perturbation theory is also applied to explaining the effect of aza-substitution on the spectra of indolizines.

Theoretica Chimica Acta published new progress about Heterocyclic compounds Role: PRP (Properties). 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, HPLC of Formula: 274-78-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Alhede, Boerge published the artcileA simple and efficient synthesis of 9-substituted guanines. Cyclodesulfurization of 1-substituted 5-[(thiocarbamoyl)amino]imidazole-4-carboxamides under aqueous basic conditions, Related Products of imidazoles-derivatives, the main research area is guanine substituted; thiocarbamoylaminoimidazolecarboxamide cyclodesulfurization metal salt catalyzed; imidazolecarboxamide thiocarbamoyl cyclodesulfurization alk; nucleoside acyclo; desulfurization cyclo thiocarbamoylaminoimidazolecarboxmide; acyclonucleoside.

5-Aminoimidazole-4-carboxamide (I; R = R1 = H) is 1-alkylated by an improved method. The resulting alkylimidazolecarboxamides, e.g. I (R = Me, Et, Pr, PhCH2, HOCH2CH2O, R1 = H), are converted to the corresponding thiocarbamoylcarboxamides, e.g. I (R = same, R1 = CSNH2). These compounds are ring closed under alk. conditions to 9-substituted guanines II (R = same) in very high yields by treatment with heavy-metal salts in aqueous NaOH, or, in lower yields, by S-oxidation with H2O2 or NaBO3 in aqueous NaOH.

Journal of Organic Chemistry published new progress about Cyclocondensation reaction catalysts. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Related Products of imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Hall, Janet A. published the artcileThe induction of errors during in vitro DNA synthesis following chloroacetaldehyde-treatment of poly(dA-dT) and poly(dC-dG) templates, Application In Synthesis of 274-78-2, the main research area is chloroacetaldehyde DNA polymer reaction; polymerase DNA chloroacetaldehyde; ethenoadenine chloroacetaldehyde DNA; ethenocytosine chloroacetaldehyde DNA.

Chloroacetaldehyde [107-20-0], a rearranged metabolic product of the human carcinogen vinyl chloride, reacts with the DNA-like polymers poly(dA-dT) [26966-61-0] and poly(dC-dG) [62081-33-8] to form etheno-adducts of the adenine and cytosine bases. These treated polymers, when used as templates for Escherichia coli DNA polymerase I [9012-90-2] in an in vitro assay, show a decreased ability to direct DNA synthesis. At the same time, increased relative levels of noncomplementary nucleotides are incorporated. With the poly(dA-dT) templates, 1 dGMP residue is incorporated for every ∼60 ethenoadenine [13875-63-3] residues present, whereas no increased misincorporation of dCMP was detected. With the poly(dC-dG) templates, 1 misincorporation of dAMP or dTMP occurred in the presence of ∼30 and 80 ethenocytosine [274-78-2] residues, resp. A nearest neighbor anal. shows that with the modified poly(dC-dG) templates, the majority of the errors were incorporated opposite cytosine (or modified cytosine) bases.

Carcinogenesis published new progress about DNA Role: BIOL (Biological Study). 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Application In Synthesis of 274-78-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem