Month: April 2022

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 Discovery of a potent glutathione peroxidase 4 inhibitor as a selective ferroptosis inducer, published in 2021-09-23, which mentions a compound: 948552-36-1, mainly applied to chloroacetyl anilino arylacetamide ferroptosis inducer preparation antitumor activity; glutathione peroxidase inhibitor structure activity relationship, Name: 1H-Pyrazole-5-carbaldehyde.

Potent and selective ferroptosis regulators promote an intensive understanding of the regulation and mechanisms underlying ferroptosis, which is highly associated with various diseases. In this study, through a stepwise structure optimization, a potent and selective ferroptosis inducer was developed targeting to inhibit glutathione peroxidase 4 (GPX4), and the structure-activity relationship (SAR) of these compounds I [R1 = allyl, cyclohexyl, allyl, etc.; n = 0 and 1], II [wherein, Het = 1H-pyrazol-3-yl, 2-methylpyrazol-3-yl, 1H-indol-4-yl, etc.] and III [X = N and S; R2 = fluoro, methoxy, 5-methyloxazolyl, etc.] was uncovered. Compound III [X = S; R2 = 5-methyloxazolyl] exhibited outstanding GPX4 inhibitory activity with a percent inhibition up to 71.7% at 1.0 μM compared to 45.9% of RSL-3. At the cellular level, III [X = S; R2 = 5-methyloxazolyl] could significantly induce lipid peroxide (LPO) increase and effectively induce ferroptosis with satisfactory selectivity (the value of 31.5). The morphol. anal. confirmed the ferroptosis induced by III [X = S; R2 = 5-methyloxazolyl]. Furthermore, III [X = S; R2 = 5-methyloxazolyl] significantly restrained tumor growth in a mouse 4T1 xenograft model without obvious toxicity.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 8-Bromooctan-1-ol, is researched, Molecular C8H17BrO, CAS is 50816-19-8, about Monobromination of α,ω-Diols: Highly Efficient Preparation of Synthetic Intermediates, the main research direction is bromoalc preparation; diol monobromination reaction.Safety of 8-Bromooctan-1-ol.

The present work aimed to evaluate different conditions to perform monobromination reactions of α,ω-diols HOCH2(CH2)nCH2OH (n = 4, 5, 6, 8) using HBr. Three solvents such as, toluene, isooctane, 1,2-dichloroethane were tested in two distinct molar proportions between 1,8-octanediol and HBr (1:1 and 1:2 equiv). All reactions occurred under reflux. After establishing the best reactional conditions, assays with four sym. α,ω-diols, 1,6-hexanediol; 1,7-heptanediol; 1,8-octanediol; and 1,10-decanediol, with 2 equivalent HBr in 1,2-dichloroethane, were conducted. Using toluene as solvent lead to the best reaction yields (81-95%), producing the least amount of unwanted dibrominated product BrCH2(CH2)nCH2Br. Reactions in 1,2-dichloroethane gave similar results to the ones with toluene when 2 equivalent HBr were used. The lowest reactional efficiency registered in these assays occurred in isooctane, forming the highest amount of dibromide. Diols 1,7-heptanediol and 1,8-octanediol showed the best results under the conditions studied, in 1,2-dichloroethane.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Recommanded Product: Picolinoyl chloride hydrochloride. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Picolinoyl chloride hydrochloride, is researched, Molecular C6H5Cl2NO, CAS is 39901-94-5, about Discovery and Development of Metal-Catalyzed Coupling Reactions in the Synthesis of Dasabuvir, an HCV-Polymerase Inhibitor. Author is Barnes, David M.; Shekhar, Shashank; Dunn, Travis B.; Barkalow, Jufang H.; Chan, Vincent S.; Franczyk, Thaddeus S.; Haight, Anthony R.; Hengeveld, John E.; Kolaczkowski, Lawrence; Kotecki, Brian J.; Liang, Guangxin; Marek, James C.; McLaughlin, Maureen A.; Montavon, Donna K.; Napier, James J..

Dasabuvir is an HCV polymerase inhibitor which has been developed as a part of a three-component direct-acting antiviral combination therapy. During the course of the development of the synthetic route, two novel coupling reactions were developed. First, the copper-catalyzed coupling of uracil with aryl iodides, employing picolinamide derivative I, as the ligand, was discovered. Later, the palladium-catalyzed sulfonamidation of aryl nonaflate II, was developed, promoted by electron-rich palladium complexes, including the novel phosphine ligand, VincePhos III. This made possible a convergent, highly efficient synthesis of dasabuvir that significantly reduced the mutagenic impurity burden of the process.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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: 50816-19-8, is researched, SMILESS is OCCCCCCCCBr, Molecular C8H17BrOJournal, Article, Research Support, Non-U.S. Gov’t, Bioorganic & Medicinal Chemistry Letters called Synthesis of Isosteviol analogues as potential protective agents against Doxorubicin-induced cardiomyopathy in zebrafish embryos, Author is Jayachandra, R.; Zhao, Haishan; Cheng, Zuchun; Luo, Liping; Sun, Tingwei; Tan, Wen, the main research direction is isosteviol analog preparation cardioprotective; Cardiomyopathy; Cardioprotection; Doxorubicin; Isosteviol analogues; Zebrafish.Electric Literature of C8H17BrO.

Doxorubicin (DOX) is a powerful anthracycline antibiotic agent which is widely used to treat various types of cancers. Despite efficacy, it displays severe cardiotoxic side effects. Discovery of novel and effective protective agents against DOX-induced cardiotoxicity has been a subject of great interest. Herein, we report the synthesis of two series of analogs of Isosteviol (ISV) with modifications at C-16, C-19 positions as the first series and at C-15, C-16 positions as the other series. Interestingly, the second series analogs have shown a potential protective effect against DOX-induced cardiotoxicity in zebrafish embryos in vivo. Further, we have demonstrated that the synthesized new analogs of ISV, prevented the morphol. distortions caused due to DOX cardiotoxicity in zebrafish heart and the associated cardiac impairments.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

SDS of cas: 39901-94-5. 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: Picolinoyl chloride hydrochloride, is researched, Molecular C6H5Cl2NO, CAS is 39901-94-5, about Synthesis of 3-(3-pyridyl)- and 3-(3-benzo[b]thienyl)-D-alanine.

β-(3-Benzo[b]thienyl)-DL-alanine derivative DL-I was prepared by the condensation of 3-chlorobenzo[b]thiophene with AcNHCH(CO2Et)2, followed by partial saponification and decarboxylation of the resulting malonate II. β-(3-Pyridyl)-DL-alanine derivative DL-III was prepared similarly from 3-picolyl chloride and AcNHCH(CO2Et)2. DL-I and DL-III were resolved via enzymic hydrolysis to give D-I and D-III, resp. Acid hydrolysis of the latter gave β-(3-benzo[b]thienyl)-D-alanine and β-(3-pyridyl)-D-alanine, resp.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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.Pocar, Donato; Stradi, Riccardo researched the compound: 1H-Pyrazole-5-carbaldehyde( cas:948552-36-1 ).Synthetic Route of C4H4N2O.They published the article 《Studies in the enamine field. XXXVII. Diene amines and arylsulfonyl azides》 about this compound( cas:948552-36-1 ) in Annali di Chimica (Rome, Italy). Keywords: diene amines sulfonyl azides pyrazoles; diazo propenes cyclization pyrazoles. We’ll tell you more about this compound (cas:948552-36-1).

Pyrazoles are prepared from amines RCH:CHCH:CHNR1R2 (I) and sulfonyl azides p-R3C6H4SO2N3 (II); formamidines p-R3C6H4SO2N:CHNR1R2 are by-products. The pyrazoles are formed by cyclization of diazo compounds RCH:CHCHN2. Thus, 1-diethylamino-1,3-butadiene is treated with p-ClC6H4SO2N3 at 0-10° to give pyrazole (III); p-ClC6H4SO2N:CHNEt2 is isolated. Similarly, IV and V are prepared from I (R = CHO, R1 = Me, R2 = Ph) and I (R = CH2OH, R1 = Me, R2 = Ph) and II (R3 = Me, NO2).

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – 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 Iron(II) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products, published in 2012, which mentions a compound: 948552-36-1, mainly applied to pyridylmethylene triazaadamantane iron complex preparation crystal structure; iron heterocyclic aldehyde aminomethyl methyldiaminopropane Schiff complex preparation structure, Quality Control of 1H-Pyrazole-5-carbaldehyde.

New iron(II) podand complexes were prepared, by condensation of 2-(aminomethyl)-2-methyl-1,3-diaminopropane with 3 equiv of a heterocyclic aldehyde in the presence of hydrated Fe[BF4]2 or Fe[ClO4]2 as templates. The 2-(aminomethyl)-2-methyl-1,3-diaminopropane was prepared in situ by deprotonation of its trihydrochloride salt. The chloride must be removed from these reactions by precipitation with silver, to avoid the formation of the alternative 2,4,6-trisubstituted-7-methyl-1,3,5-triazaadamantane condensation products, or their FeCl2 adducts. The crystal structures of two 2,4,6-tri(pyridyl)-7-methyl-1,3,5-triazaadamantane-containing species are presented, and contain two different geometric isomers of this tricyclic ring with three equatorial, or two equatorial and one axial, pyridyl substituents. Both structures feature strong C-H···X (X = Cl or F) hydrogen bonding from the aminal C-H groups in the triazaadamantane ring. Five iron(II) podand complexes were successfully obtained, all of which contain low-spin iron centers, and three of which were characterized by x-ray crystallog.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

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: 894086-00-1, is researched, SMILESS is CC(P(C1=CC=NN1C2=C(C3=CC=CC=C3)N(C4=CC=CC=C4)N=C2C5=CC=CC=C5)C(C)(C)C)(C)C, Molecular C32H35N4PJournal, Topics in Organometallic Chemistry called Process Economics and Atom Economy for Industrial Cross Coupling Applications via LnPd(0)-Based Catalysts, Author is Slack, Eric D.; Tancini, Peter D.; Colacot, Thomas J., the main research direction is lanthanum palladium catalysts economics atom economy process.Safety of 5-(di-tert-Butylphosphino)-1′,3′,5′-triphenyl-1’H-1,4′-bipyrazole.

Up to and beyond the 2010 Nobel Prize in Chem., Pd-based cross coupling has seen a boom in industrial applications and scientific research. These efforts have yielded a wealth of information on Pd-based catalyst technol. that can be separated into two broad categories: pre-catalysts and in situ generated catalysts. Proper selection of the catalyst system, i.e., in situ vs pre-catalyst is although process dependent, herein we provide an in-depth look into the often overlooked benefits of the pre-catalyst technol. for maximizing the process economics. Although ligands play a crucial role in catalysis, it is not “”all about ligands′ alone. To improve the efficiency of the process one may need to precisely generate the active catalytic species for that particular reaction. In this chapter, we highlighted this concept by providing industrial case studies where switching from in situ generated to pre-catalyst technol. yielded significant process economic benefits. We also provided process chemists with a methodol. to properly evaluate catalyst technol. and make recommendations on potential benefits by weighing the pros and cons of using in situ vs preformed.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 2,4-Dimethyl-1H-pyrrole. 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: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about A Nano-BODIPY Encapsulated Zeolitic Imidazolate Framework As Photoresponsive Integrating Antibacterial Agent.

Drug-resistant bacteria challenge the antimicrobial agents and antibacterial strategy. To develop environmental friendly smart technol. for treating pathogens, we report a kind of photoactivated nano-BODIPY (BCNBA@ZIF). First BODIPY compound (BC) was synthesized by coupling phenethyl caffeate (CAPE) with brominated BODIPY through B-O bonds. Next, BC was encapsulated in ZIF-8 together with 2-nitrobenzaldehyde (o-NBA) to form photoactivated BCNBA@ZIF nanoparticles. TEM confirm the structural change of BCNBA@ZIF after illumination. BCNBA@ZIF is less toxic to cells without illumination. Under illumination of blue LED light, the BCNBA@ZIF worked as a photoacid generator initiating the damage of ZIF shell with the release of BC, metal ions, and the production of singlet oxygen for achieving multifunctional antibacterial uses. Therefore, BCNBA@ZIF is a kind of photodriven smart “”Domino”” agent for bacterial inhibition.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Name: 2,4-Dimethyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects. Author is Sia, Rengel Cane E.; Arellano-Reyes, Ruben Arturo; Keyes, Tia E.; Guthmuller, Julien.

The radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck-Condon (FC), Herzberg-Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and for the radiative lifetime. The transition energies, spectra shapes and radiative lifetime are assessed with respect to exptl. results. It is found that the TDDFT transition energies are overestimated by about 0.4-0.5 eV, whereas EOM-CCSD improves the vertical emission energy by about 0.1 eV in comparison to TDDFT. The solvatochromic and Stokes shifts are better reproduced by the state-specific solvation methods, which show that these methods are more suited than the LR model to describe the solvent effects on the BODIPY dye. The vibronic effects lead to an increase of the radiative lifetime of about 0.4 to 1.0 ns depending on the theor. approach, which highlights the importance of such effects. Moreover, the HT effects are negligible on both the spectra and lifetime, which demonstrates that the FC approximation is accurate for the BODIPY dye. Finally, the comparison with exptl. data shows that the radiative lifetimes predicted by EOM-CCSD and TDDFT have comparable accuracy.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem