Tag: 200-300

Detailed Computational Study of the Active Site of the Hepatitis C Viral RNA Polymerase to Aid Novel Drug Design was written by Barakat, Khaled H.; Law, John; Prunotto, Alessio; Magee, Wendy C.; Evans, David H.; Tyrrell, D. Lorne; Tuszynski, Jack; Houghton, Michael. And the article was included in Journal of Chemical Information and Modeling on November 25,2013.Computed Properties of C9H12FN3O4 The following contents are mentioned in the article:

The hepatitis C virus (HCV) RNA polymerase, NS5B, is a leading target for novel and selective HCV drug design. The enzyme has been the subject of intensive drug discovery aimed at developing direct acting antiviral (DAA) agents that inhibit its activity and hence prevent the virus from replicating its genome. In this study, we focus on one class of NS5B inhibitors, namely nucleos-(t)-ide mimetics. Forty-one distinct nucleotide structures have been modeled within the active site of NS5B for the six major HCV genotypes. Our comprehensive modeling protocol employed 287 different mol. dynamics simulations combined with the mol. mechanics/Poisson-Boltzmann surface area (MM-PBSA) methodol. to rank and analyze these structures for all genotypes. The binding interactions of the individual compounds have been investigated and reduced to the at. level. The present study significantly refines our understanding of the mode of action of NS5B-nucleotide-inhibitors, identifies the key structural elements necessary for their activity, and implements the tools for ranking the potential of addnl. much needed novel inhibitors of NS5B. This study involved multiple reactions and reactants, such as 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8Computed Properties of C9H12FN3O4).

4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Computed Properties of C9H12FN3O4

56632-83-8;4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one;The future of 56632-83-8;New trend of C9H12FN3O4;function of 56632-83-8

2′ -Fluoroarabinonucleic acid modification traps G-quadruplex and i-motif structures in human telomeric DNA [Erratum to document cited in CA171:021472] was written by Assi, Hala Abou; El-Khoury, Roberto; Gonzalez, Carlos; Damha, Masad J.. And the article was included in Nucleic Acids Research on November 16,2017.SDS of cas: 56632-83-8 The following contents are mentioned in the article:

There is no abstract available for this document. This study involved multiple reactions and reactants, such as 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8SDS of cas: 56632-83-8).

4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one (cas: 56632-83-8) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.SDS of cas: 56632-83-8

56632-83-8;4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one;The future of 56632-83-8;New trend of C9H12FN3O4;function of 56632-83-8

On May 25, 2018, Woodring, Jennifer L.; Bachovchin, Kelly A.; Brady, Kimberly G.; Gallerstein, Mitchell F.; Erath, Jessey; Tanghe, Scott; Leed, Susan E.; Rodriguez, Ana; Mensa-Wilmot, Kojo; Sciotti, Richard J.; Pollastri, Michael P. published an article.Category: pyrimidines The title of the article was Corrigendum to “Optimization of physicochemical properties for 4-Anilinoquinazoline inhibitors of trypanosome proliferation” [Eur. J. Med. Chem. 141 (2017) 446-459] [Erratum to document cited in CA167:595582]. And the article contained the following:

In the original publication, the acknowledgments section has information omitted; the correction is provided here. The experimental process involved the reaction of 4-(2-Bromopyrimidin-4-yl)morpholine(cas: 1209459-32-4).Category: pyrimidines

The Article related to anilinoquinazoline trypanosome inhibitor antimalarial malaria trypanosomiasis trypanosomicide erratum, Placeholder for records without volume info and other aspects.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On May 8, 2020, Yan, Tzu-Hsien; Lin, Yi-Hsin; Huang, Chao-Wei published a patent.Related Products of 160377-42-4 The title of the patent was Compound with pyridine ring, synthetic method and application as light-emitting element. And the patent contained the following:

The invention disclosed a kind of pyridine containing compound, its preparation method and application as light-emitting element in OLED. The claimed compound is shown in structure I (ring A and the ring B = (un)substituted pyridine ring; A1,A2 = same or different organic groups; R1,R2 = same or different substituent groups; m,n = 0, 1, 2 or 3). The claimed compound is prepared via coupling etc. multiple steps (procedure given). The prepared compound can be applied as electron transport layer material with good electron mobility. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Related Products of 160377-42-4

The Article related to pyridine derivative preparation coupling electron transport oled, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Related Products of 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On July 31, 1980, Iddon, Brian; Mack, Arthur G.; Suschitzky, Hans; Taylor, Jack A.; Wakefield, Basil J. published an article.Related Products of 63931-21-5 The title of the article was Polyhaloaromatic compounds. Part 42. Carbon-13 NMR spectra of polyhalopyridines and 2-pyrimidines. And the article contained the following:

13C NMR spectra are reported for 103 polyhalopyridines and 8 polyhalopyrimidines. Substituent effects were calculated and the results used to assign structures. The experimental process involved the reaction of 5-Bromo-2,4,6-trichloropyrimidine(cas: 63931-21-5).Related Products of 63931-21-5

The Article related to carbon nmr polyhalo pyridine pyrimidine, substituent effect nmr halopyridine, Physical Organic Chemistry: Spectral and Related Studies and other aspects.Related Products of 63931-21-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 1, 1994, Brown, George R.; Mallion, Keith B.; Whittamore, Paul R. O.; Brittain, David R. published a patent.Recommanded Product: 160377-42-4 The title of the patent was Quinuclidine derivatives useful as squalene synthase inhibitors and their preparation. And the patent contained the following:

Compounds of formula I and their pharmaceutically acceptable salts [R1 = H, OH; R2 = H; or R1R2 = bond; X = CH2CH2, CH:CH, CC, CH2O, CH2NH, NHCH2, CH2CO, COCH2, CH2S and SCH2; Ar1 = (un)substituted phenylene; Ar2 = (un)substituted heteroaryl; substituent(s) on Ar1 and Ar2 = halo, OH, (di)(alkyl)amino, NO2, cyano, CO2H, (di)(alkyl)carbamoyl, alkyl, alkenyl, alkynyl, alkoxy, alkoxycarbonyl, alkylthio, alkylsulfinyl, alkylsulfonyl, haloalkyl, carboxyalkyl, alkanoylamino; provided that when R1 = OH, X ≠ NHCH2 or SCH2] are inhibitors of squalene synthase, and hence useful in treating hypercholesterolemia and atherosclerosis. Possible antifungal use is also mentioned (no data). Processes for preparing I and pharmaceutical compositions containing them are also described. For example, coupling of 3-ethynyl-3-hydroxyquinuclidine with 2-(4-bromophenyl)pyridine (preparations given) using Pd(PPh3)2Cl2, CuI, and Et3N in DMF at 90°, gave title compound II. At 2.5 μM, II gave about 98% inhibition of squalene synthase in vitro; it also inhibited cholesterol biosynthesis in rats at an ED50 of 8 mg/kg (route unspecified). The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Recommanded Product: 160377-42-4

The Article related to quinuclidine preparation squalene synthase inhibitor, antihypercholesterolemic quinuclidine preparation, antiatherosclerotic quinuclidine preparation, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Recommanded Product: 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On July 14, 2017, Zhang, Zhaochao; Tang, Dandan; Li, Chong published a patent.Reference of 5-(4-Bromophenyl)pyrimidine The title of the patent was Organic compound based on triazine and benzimidazole as core and application in organic electroluminescence device. And the patent contained the following:

The invention disclosed a kind of organic compound based on triazine and benzimidazole as core, its preparation method and application in organic electroluminescence device. The claimed compound is shown in structure I (x = 1 or 2; z = 1 or 2; m,n = 0, 1, or 2, and m+n+z = 3; Ar1,Ar2,Ar3 = C1-10 alkyl, or halogen atom, protium, deuterium, tritium substituted or unsubstituted Ph, naphthyl, di-Ph or pyridyl, pyrimidyl, pyrazinyl, pyridazinyl, dibenzofuran, etc.; R1 = C1-10 alkyl, or halogen atom, protium, deuterium, tritium substituted or unsubstituted Ph, naphthyl, etc.; R2,R3 = (un)substituted benzoimidazoyl). The claimed compound is prepared via coupling etc. multiple steps (procedure given). The prepared compound has higher glass transition temperature and mol. thermal stability, low absorption and high refractive index in visible light field, and light extraction efficiency of OLED device can be effectively improved after the compound is applied to the CPL layer of OLED device. The prepared compound also has deep HOMO energy level and high electron mobility, and can be used as hole blocking / electron transport layer material for OLED device to effectively block hole or energy from being transmitted to the electron layer side from the luminescent layer, thus improving recombination efficiency of hole and electron in the luminescent layer so as to improve luminous efficiency and service life of OLED device. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Reference of 5-(4-Bromophenyl)pyrimidine

The Article related to triazine benzimidazole based core derivative preparation coupling green oled, Heterocyclic Compounds (More Than One Hetero Atom): Triazines and other aspects.Reference of 5-(4-Bromophenyl)pyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On October 30, 2020, Yang, Chuluo; Ni, Fan published a patent.Electric Literature of 160377-42-4 The title of the patent was Chiral organic luminescent material and application thereof in electronic device. And the patent contained the following:

The title chiral organic luminescent material has a structural formula I as shown in claim 1, wherein A1 is alkenyl alkynyl, amino, etc.; A2 is alkenyl alkynyl, amino, etc.; R1-R3 are independently selected from hydrogen, deuterium, etc.; and A1, A2, R1, R2 and R3 are not connected or bonded via covalent bonds. The charge transfer-state chiral organic luminescent material with a D-A structure is formed by introducing a suitable electron acceptor (A) into chiral dihydroindenoacridine as an electron donor (D). The chiral dihydroindenoacridine as the D has large steric hindrance, is favorable for forming large torsion between D and A so as to reduce overlap of frontier mol. orbits, to further reduce the singlet-triplet energy level difference (ΔEST), activate the reverse intersystem crossing process so as to realize delayed fluorescence emission, and improve the exciton utilization rate of the device. The rigid chiral quaternary carbon in the chiral dihydroindenoacridine can enable the chiral organic light-emitting material to have circularly polarized luminescent properties, so that an organic electroluminescent device based on the chiral dihydroindenoacridine has circularly polarized luminescent properties, and effective guarantee is provided for electroluminescence to pass through a quarter-wave plate and a polarizing plate. The chiral organic luminescent material can be applied to electronic devices such as the organic light-emitting device, organic solar cell, organic field effect transistor, organic light emitting field-effect transistor, organic laser, organic sensor or organic spin electronic device. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Electric Literature of 160377-42-4

The Article related to chiral organic luminescent material preparation oled, Heterocyclic Compounds (More Than One Hetero Atom): Triazines and other aspects.Electric Literature of 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On September 25, 2014, Chan, Bryan; Estrada, Anthony; Shore, Daniel; Sweeney, Zachary published a patent.Formula: C8H10BrN3O The title of the patent was Preparation of pyrazolopyridine compounds as LRRK2 inhibitors. And the patent contained the following:

The invention relates to pyrazolopyridine compounds of formula I and II, or pharmaceutically acceptable salts thereof that are useful for the treatment of the diseases associated with LRRK2. Compounds of formula I and II wherein R1 is (un)substituted alkyl, heterocycloalkyl, cycloalkyl, etc.; for formula I, one, two, or three of X1-X4 are N and the remainder are each independently CR2; or X1-X4 are independently CR2; for formula II, X4 is C or N; and one or two of X1-X3 are independently N or NR8, and the remainder are each independently CR2; each R2 is independently H, alkyl, cyano, halo, heteroaryl, OR4, CONR5R6, SO2R7, etc.; each R8 is independently H or (un)substituted alkyl; R4-R7 are independently H or alkyl; R5 and R6 together with nitrogen to which they are attached are linked to form a ring; are claimed. Example compound III was prepared by cyclocondensation of compound IV with hydrazine hydrate, followed by deprotection in 25% yield over two steps. The invention compounds were evaluated for the LRRK2 inhibitory activity and compound III shows 0.0005 μM of Ki. The experimental process involved the reaction of 4-(2-Bromopyrimidin-4-yl)morpholine(cas: 1209459-32-4).Formula: C8H10BrN3O

The Article related to pyrazolopyridine preparation lrrk2 inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazoles and other aspects.Formula: C8H10BrN3O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 22, 2019, Xing, Qifeng; Li, Zhiyang; Liu, Shuyao; Ren, Xueyan published a patent.HPLC of Formula: 160377-42-4 The title of the patent was Preparation of pyrazoloindazole derivatives and their application in OLED. And the patent contained the following:

The invention relates to pyrazoloindazole derivative of formula I [wherein Ar1 = H, (un)substituted C6-30 aryl or fused aryl, and (un)substituted C3-30 heteroaryl or fused heteroaryl; Ar2 = (un)substituted C6-30 aryl or fused aryl, and (un)substituted C3-30 heteroaryl or fused heteroaryl], method for their preparation and their application in OLED. The inventive compound can be applied in OLED to effectively reduce the work voltage and improve the light-emitting efficiency of the OLED. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).HPLC of Formula: 160377-42-4

The Article related to pyrazoloindazole derivative preparation oled, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazoles and other aspects.HPLC of Formula: 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia