Tag: M.W:100-200

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,6-Dichloropurine(SMILESS: C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2,cas:5451-40-1) is researched.Related Products of 70-23-5. The article 《HFIP Promoted Low Temperature SNAr of Chloroheteroarenes Using Thiols and Amines》 in relation to this compound, is published in Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:5451-40-1).

A highly efficient and an unprecedented HFIP promoted low temperature aromatic nucleophilic substitutions of chloroheteroarenes has been performed using thiols and (secondary) amines under base-free and metal-free conditions. The developed protocol also provides excellent regio-control for the selective functionalization of dichloroheteroarenes, while the utility of the protocol was demonstrated by the modification of a com. available drug Ceritinib.

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Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Jacobsen, Jennifer A.; Fullagar, Jessica L.; Miller, Melissa T.; Cohen, Seth M. published an article about the compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O ).Safety of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. 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:1194-22-5) through the article.

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases (MMPs), 24% for anthrax lethal factor (LF), 49% for 5-lipoxygenase (5-LO), and 60% for tyrosinase (TY). The ligand efficiencies (LE) of the fragment hits are excellent, in the range of 0.4-0.8 kcal/mol. The MMP enzymes all generally elicit the same chelators as hits from CFL-1.1; however, the chelator fragments that inhibit structurally unrelated metalloenzymes (LF, 5-LO, TY) vary considerably. To develop more advanced hits, one hit from CFL-1.1, 8-hydroxyquinoline, was elaborated at four different positions around the ring system to generate new fragments. 8-Hydroxyquinoline fragments substituted at either the 5- or 7-positions gave potent hits against MMP-2, with IC50 values in the low micromolar range. The 8-hydroxyquinoline represents a promising new chelator scaffold for the development of MMP inhibitors that was discovered by use of a metalloprotein-focused chelator fragment library.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 9-Sulfonyl-9(H)-Purine Derivatives Inhibit HCV Replication Via their Degradation Species, published in 2021-04-30, which mentions a compound: 5451-40-1, mainly applied to sulfonylpurine degradation species hepatitis C virus inhibitor, Application In Synthesis of 2,6-Dichloropurine.

Cell-based screening of a privileged small mol. library led to the discovery of 9-sulfonyl-9(H)-purine as new scaffold for hepatitis C virus (HCV) inhibitors. Structure-activity relationship study with respect to the 2-, 6- and 9-positions in the purine core resulted in the identification of several active compounds with moderate potency against the HCV genotype 1b. Subsequent stability studies demonstrated that HCV inhibitors of this type were unstable in Dulbecco’s modified eagle medium (DMEM) and plasma, as well as glutathione-containing water, and their instability was closely related to their HCV inhibitory activity. A preliminary study of the mechanism of action showed that the sulfonamide bond at the 9-position of purine would be the primary degradation site and the resulting sulfonylation degradation species would mediate the anti-HCV activity of 9-sulfonyl-9(H)-purines. Results of this study demonstrated that 9-sulfonyl-9(H)-purine is an unstable scaffold for HCV inhibitors and further detailed anal. of the degradation species is needed to determine the main active components and direct target for this type of mols.

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Oxazolidine – Wikipedia,
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Recommanded Product: Pyridin-3-ylboronic acid hydrochloride. 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: Pyridin-3-ylboronic acid hydrochloride, is researched, Molecular C5H7BClNO2, CAS is 265664-63-9, about Relative kinetic reactivity of boronic acid and boronate ion towards Tiron, 2,2′-biphenol, and propylene glycol. Author is Watanabe, Eisuke; Miyamoto, Chiaki; Tanaka, Asumi; Iizuka, Kenzo; Iwatsuki, Satoshi; Inamo, Masahiko; Takagi, Hideo D.; Ishihara, Koji.

Reaction systems of boronic acid (RB(OH2), R = Ph or 3-fluorophenyl) with diols and no proton ambiguity were elaborately set up, and kinetic measurements were conducted to elucidate the relative reactivities of RB(OH)2 and RB(OH)3-. In the reactions of phenylboronic and 3-fluorophenylboronic acids with propylene glycol, the reactivity order was: RB(OH)2 >> RB(OH)3-, whereas in the reactions of 3-pyridylboronic acid with Tiron and 2,2′-biphenol, the reactivity of RB(OH)2 was comparable to that of RB(OH)3-. These results are in contrast to those that have been previously reported, and widely accepted for over thirty years, that concluded that the reactivity of RB(OH)3- is several orders of magnitude higher than that of RB(OH)2. The reactivity of Tiron with 3-pyridylboronic acid is affected by the protonation of one of its sulfonate groups.

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Reference:
Oxazolidine – Wikipedia,
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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, European Journal of Inorganic Chemistry called A Luminescent Rhenium(I) Metallacycle with Oxygen and Nitrogen Donor Atoms: Photophysical and Theoretical Studies, Author is Bhattacharya, Dibyendu, which mentions a compound: 1194-22-5, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2, Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

A new N,O-bischelator-bridged dirhenium(I) metallacycle, [Re2(CO)6(μ-η4-mpdo)(dpe)] (1, H2mpdo = 2-methylpyrimidine-4,6-diol, dpe = 1,2-di-4-pyridylethane) was self-assembled in a one-pot reaction in p-xylene at 140°. Compound 1 displays unusual multiple phosphorescence emissions at room temperature; an emission quantum yield of 0.26 ± 0.03 and triexponential decay with an average radiative decay constant of 0.052 μs (λmax = 342 nm) were determined These results as well as those of DFT/TDDFT calculations confirmed the nature of the emitting states.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Catalysts called Synthesis of ribavirin, tecadenoson, and cladribine by enzymatic transglycosylation, Author is Rabuffetti, Marco; Bavaro, Teodora; Semproli, Riccardo; Cattaneo, Giulia; Massone, Michela; Morelli, Carlo F.; Speranza, Giovanna; Ubiali, Daniela, which mentions a compound: 5451-40-1, SMILESS is C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2, Molecular C5H2Cl2N4, Related Products of 5451-40-1.

Despite the impressive progress in nucleoside chem. to date, the synthesis of nucleoside analogs is still a challenge. Chemoenzymic synthesis has been proven to overcome most of the constraints of conventional nucleoside chem. A purine nucleoside phosphorylase from Aeromonas hydrophila (AhPNP) has been used herein to catalyze the synthesis of ribavirin, tecadenoson, and cladribine, by a “”one-pot, one-enzyme”” transglycosylation, which is the transfer of the carbohydrate moiety from a nucleoside donor to a heterocyclic base. As the sugar donor, 7-methylguanosine iodide and its 2′-deoxy counterpart were synthesized and incubated either with the “”purine-like”” base or the modified purine of the three selected APIs. Good conversions (49-67%) were achieved in all cases under screening conditions. Following this synthetic scheme, 7-methylguanine arabinoside iodide was also prepared with the purpose to synthesize the antiviral vidarabine by a novel approach. However, in this case, neither the phosphorolysis of the sugar donor, nor the transglycosylation reaction were observed This study was enlarged to two other ribonucleosides structurally related to ribavirin and tecadenoson, namely, acadesine, or AICAR, and 2-chloro-N6-cyclopentyladenosine, or CCPA. Only the formation of CCPA was observed (52%). This study paves the way for the development of a new synthesis of the target APIs at a preparative scale. Furthermore, the screening herein reported contributes to the collection of new data about the specific substrate requirements of AhPNP.

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Reference:
Oxazolidine – Wikipedia,
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Formula: C5H2Cl2N4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Discovery of MK-4688: an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. Author is Reutershan, Michael H.; Machacek, Michelle R.; Altman, Michael D.; Bogen, Stephane; Cai, Mingmei; Cammarano, Carolyn; Chen, Dapeng; Christopher, Matthew; Cryan, John; Daublain, Pierre; Fradera, Xavier; Geda, Prasanthi; Goldenblatt, Peter; Hill, Armetta D.; Kemper, Raymond A.; Kutilek, Victoria; Li, Chaomin; Martinez, Michelle; McCoy, Mark; Nair, Latha; Pan, Weidong; Thompson, Christopher F.; Scapin, Giovanna; Shizuka, Manami; Spatz, Marianne L.; Steinhuebel, Dietrich; Sun, Binyuan; Voss, Matthew E.; Wang, Xiao; Yang, Liping; Yeh, Tammie C.; Dussault, Isabelle; Marshall, C. Gary; Trotter, B. Wesley.

Identification of low-dose, low-mol.-weight, drug-like inhibitors of protein-protein interactions (PPIs) is a challenging area of research. Despite the challenges, the therapeutic potential of PPI inhibition has driven significant efforts toward this goal. Adding to recent success in this area, we describe herein our efforts to optimize a novel purine carboxylic acid-derived inhibitor of the HDM2-p53 PPI into a series of low-projected dose inhibitors with overall favorable pharmacokinetic and phys. properties. Ultimately, a strategy focused on leveraging known binding hot spots coupled with biostructural information to guide the design of conformationally constrained analogs and a focus on efficiency metrics led to the discovery of MK-4688 (compound 56), a highly potent, selective, and low-mol.-weight inhibitor suitable for clin. investigation.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Related Products of 70-23-5. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Ethyl 3-bromo-2-oxopropanoate, is researched, Molecular C5H7BrO3, CAS is 70-23-5, about Green synthesis and evaluation of antioxidant and antimicrobial activity of new dihydropyrroloazepines: Using bio-Ag/CdO/ZnO@MWCNTs nanocomposites as a reusable organometallic catalyst. Author is Noushin, Annataj; Varasteh-Moradi, Ali; Sayyed-Alangi, S. Zahra; Hossaini, Zinatossadat.

In this study a new, economical and green method was reported for the synthesis of Ag/CdO/ZnO@MWCNTs nanocomposites (Ag/CdO/ZnO@MWCNTs NCs) as a new heterogeneous catalyst. For confirming the structure of synthesized nanocatalyst, XRD, FESEM, EDX and TEM anal. were utilized. The Ag/CdO/ZnO@MWCNTs NCs as a high performance catalyst was employed for the preparation of a new family of substituted dihydropyrroloazepines I [R = CO2Et, Ph, 4-MeC6H4, 4-MeOC6H4, 4-O2NC6H4; R1 = CO2Et, 4-BrC6H4, 4-MeOC6H4, 4-O2NC6H4] using the one-pot condensation reactions of isatin, ammonium acetate, α-haloketones and activated acetylenic compounds in water at room temperature Another work in this research was investigation of antioxidant property of some synthesized compounds I by diphenyl-picrylhydrazine (DPPH) radical trapping experiment Addnl., for confirming the antibacterial activity of some dihydropyrroloazepines, disk diffusion test was used on two kinds of bacteria.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: 2,6-Dichloropurine. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Synthesis of 2-triazolylpurine Phosphonates. Author is Kapilinskis, Zigfrids; Novosjolova, Irina; Bizdena, Erika; Turks, Maris.

A series of novel compounds containing triazole and phosphonate moieties were obtained under mild conditions. Reactions of 2,6-bis-(triazolyl)purine acyclic nucleoside phosphonates, in which triazole ring at C-6 atom of purine was acting as a good leaving group, and N- or S-nucleophiles allowed to obtain the resp. 2-triazolylpurine phosphonates in 62-87% yields.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP), published in 2012-09-30, which mentions a compound: 1194-22-5, mainly applied to calorimetric theor heat kinetics nitration methyldihydroxypyrimidine MDP, COA of Formula: C5H6N2O2.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) were studied. Measurements were performed using a reaction calorimeter DRC Evolution delivered by Setaram. The heat of solution of MDP in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heating effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. The heat of solution of MDP was 95 ± 3 kj/mol, while the total heat effect of nitration MDP was 392 ± 9 kj/mol. The measured heat of solution of acids was 34 ± 2 kJ/mol HNO3. Anal. of literature data and own research allowed us to propose the model of kinetics for nitration of MDP. The model was used to simulate phenomena and reactions running in the reaction calorimeter. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in the calorimeter were determined as a model for preparation of 1,1-diamino-2,2-dinitroethene (DADNE).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem