Month: November 2022

On November 15, 2019, Abdulazeez, Ismail; Khaled, Mazen; Al-Saadi, Abdulaziz A. published an article.Computed Properties of 5709-67-1 The title of the article was Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study. And the article contained the following:

The role of substituents in the enhancement of corrosion inhibition effectiveness in some organic compounds has been the subject of several studies in recent years. Understanding the relationship between corrosion inhibition performance and electronic properties of the mol. shall facilitate the design of efficient inhibitors and reduce the burden of exptl. trials involved. In this study, quantum chem. calculations using d. functional theory (DFT) method were performed on benzimidazole and its derivatives involving various electron-withdrawing and electron-releasing substituents. Several reactivity indicators, such as frontier orbitals, energy gaps, electronegativity, electrophilicity and global hardness were calculated and correlated with available exptl. data. Frontier orbital energy gap predicted 2-nitrobenzimidazole to possess higher anti-corrosion properties, while electronegativity, electrophilicity and global hardness predicted 2-aminobenzimidazole to exhibit higher corrosion inhibition tendency. Results of mol. level interaction studies predicted that the adsorption of the mols. over the iron surface would take place preferentially through the nitrogen atoms of the imidazole ring and the carbon atoms of the benzene ring, resulting in the formation of Fe-N and Fe-C bonds with 2.00-2.40 脜 bond distances which lie within the range of the chemisorption interaction. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Computed Properties of 5709-67-1

The Article related to benzimidazole derivative corrosion inhibitor electron withdrawing donating substituent, Ferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Computed Properties of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Li, Yiming; Rizvi, S. Aal-e-Ali; Hu, Deqing; Sun, Danwen; Gao, Anhui; Zhou, Yubo; Li, Jia; Jiang, Xuefeng published an article in 2019, the title of the article was Selective Late-Stage Oxygenation of Sulfides with Ground-State Oxygen by Uranyl Photocatalysis.Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole And the article contains the following content:

Oxygenation is a fundamental transformation in synthesis. Herein, we describe the selective late-stage oxygenation of sulfur-containing complex mols. with ground-state oxygen under ambient conditions. The high oxidation potential of the active uranyl cation (UO22+) enabled the efficient synthesis of sulfones. The ligand-to-metal charge transfer process (LMCT) from O 2p to U 5f within the O::U::O group, which generates a UV center and an oxygen radical, is assumed to be affected by the solvent and additives, and can be tuned to promote selective sulfoxidation This tunable strategy enabled the batch synthesis of 32 pharmaceuticals and analogs by late-stage oxygenation in an atom- and step-efficient manner. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

The Article related to photooxidation catalyst uranyl sulfide sulfoxide sulfone, oxygen, oxygenation, photocatalysis, sulfides, uranyl catalysis, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Radiation Chemistry and Photochemistry and other aspects.Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 20, 2010, Tang, Kai; Yan, Jie; Sun, Ya-li; Li, Li published an article.Related Products of 5709-67-1 The title of the article was Synthesis of new benzimidazole corrosion inhibitor applied in cemented carbide. And the article contained the following:

Three kinds of benzimidazole ramification including 2-(o/i/p)-nitrobenzimidazole were synthesized by one step with o-phenylenediamine and nitrobenzaldehyde as the materials. And they were applied in cemented carbide anticorrosion. The results show that the optimal synthesis tech. parameters are as follows: the ratio of o-phenylenediamine to nitrobenzaldehyde is 1.2, reaction temperature 60掳C, and heating duration 20 min. The m.p. anal. results show that the synthetic product is the target product. The corrosion inhibition rate of the new corrosion inhibitor is up to 95.6%, better than that of the similar domestic products. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Related Products of 5709-67-1

The Article related to benzimidazole corrosion inhibitor cemented carbide synthesis, Nonferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Related Products of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On June 30, 1997, Zheng, Jun Ping; Chen, Ping; Hu, Xiu Jie; Zheng, De Shui published an article.Category: imidazoles-derivatives The title of the article was Effects of several antifoggants on photographic properties of photographic emulsions. And the article contained the following:

Effects of several antifoggants on sensitivity and fog properties of unsensitized- and sulfur sensitized cubic AgCl emulsion have been investigated. The results indicate that upon appropriate addition of antifoggant it can not only inhibit the increase of fog, but most important, also significantly increase the sensitivity of the emulsion (more than 2 times). Adsorption of the antifoggant on the surface of AgCl grains and the effect on the concentration of interstitial silver ions have been studied for elucidating the reason for the modification of photog. properties. Possible mechanism relating the sensitizing effect to electron traps was discussed and suggested. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Category: imidazoles-derivatives

The Article related to photog emulsion antifoggant agent mercaptobenzimidazole mercaptobenzothiazole, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Silver Halide Photographic Chemistry and Processes and other aspects.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On April 8, 2021, Folmer, Rutger; Hekking, Koen F. W.; Calpe, Blaise; Mueller, Gerhard; Fabritius, Charles-Henry published a patent.SDS of cas: 50743-01-6 The title of the patent was Azaindole derivatives and related compounds as inhibitors of dual specificity tyrosine phosphorylation regulated kinase 1B and their preparation. And the patent contained the following:

The invention relates to compounds of formula I, optionally in the form of a pharmaceutically acceptable salt, solvate, cocrystal, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, in particular for use in the treatment, amelioration or prevention of cancer, Alzheimer, Parkinson, Down syndrome, metabolic syndrome, diabetes and/or osteoarthritis. Compounds of formula I wherein X1 is N, CH and CF; X2 = N, CH and CR1; each R2 is independently H and R1; Y1 is S and O; Y2 is C, CN, CMe, CCl and CF; Y3 is N, CH and CR1; A is (un)substituted (mono/bi/tri)cyclic heterocyclyl; R1 is (un)substituted C1-6 alkyl, halo, CN, NO2, etc.; and pharmaceutically acceptable salts, solvates, cocrystals, tautomers, racemates, enantiomers, diastereomers and mixtures thereof, are claimed. Example compound II was prepared by cyclization of 2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one with 1H-imidazole-4-carbothioamide. The invention compounds were evaluated for their DYRK1B inhibitory activity. From the assay it was determined that compound II exhibited IC50 value in the range of 10 nM to < 100 nM. The experimental process involved the reaction of 5-Bromo-1H-imidazole-4-carbaldehyde(cas: 50743-01-6).SDS of cas: 50743-01-6

The Article related to azaindole preparation dyrk1b inhibitor, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.SDS of cas: 50743-01-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On May 15, 2014, Coe, Jotham Wadsworth; Allen, John Arthur; Davoren, Jennifer Elizabeth; Dounay, Amy Beth; Efremov, Ivan Viktorovich; Gray, David Lawrence Firman; Guilmette, Edward Raymond; Harris, Anthony Richard; Helal, Christopher John; Henderson, Jaclyn Louise; Mente, Scot Richard; Nason, Deane Milford, II; O’Neil, Steven Victor; Subramanyam, Chakrapani; Xu, Wenjian published a patent.Formula: C8H7BrN2 The title of the patent was Preparation of heteroaromatic compounds and their use as dopamine D1 ligands for therapy. And the patent contained the following:

The present invention provides, in part, compounds of Formula I (wherein X1 is O or S; Y1 is O, S, or (un)substituted NH; Q1 is Ph, or a N-containing 5-10-membered heterocycloalkyl or heteroaryl, all optionally substituted; RT1 and RT2 are independently H, C1-3-alkyl, cyclopropyl, etc.; R1 is H, F, -C(O)OH, C1-3-fluoroalkyl, etc.; R2 is H, halogen, -CN, -OH, C(O)OH, etc.; R3 and R4 are independently H, C1-6 alkyl, C1-6 haloalkyl, etc.; R5 and R6 are independently H, halogen, -OH, -NO2, -CN, etc.) and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced 尾-arrestin recruitment activity relative to dopamine, D1 agonists interacting significantly with Ser188 but not significantly with Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with both Asp103 and Ser198 of a D1R when binding to the D1R, and their uses in treating neurol., psychiatric and endocrine disorders. Example compound II was prepared in a multistep synthesis that culminated in reaction of intermediate III with 5-bromo-4,6-dimethylpyrimidine. In a human D1 receptor binding assay, II had a Ki of 27.3 nM. The experimental process involved the reaction of 5-Bromo-6-methylimidazo[1,2-a]pyridine(cas: 1346157-13-8).Formula: C8H7BrN2

The Article related to preparation heteroaromatic compound dopamine d1 ligand therapy, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.Formula: C8H7BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On May 31, 2019, Vadivelu, Saravanan; Rajagopal, Sridharan; Burri, Raghunadha Reddy; Garapaty, Shivani; Sivanandhan, Dhanalakshmi; Thakur, Manish Kumar; Natarajan, Tamizharasan; Swamy, Indu N.; Nagaraju, Nagendra; Kanagaraj, Subramaniam; Mohd, Zainuddin; Sarkar, Sayantani; Samanta, Swapan Kumar; Hariprakash published a patent.Synthetic Route of 1774893-22-9 The title of the patent was Preparation of heterocyclic compounds as PRMT5 inhibitors. And the patent contained the following:

The invention relates to compounds of formula I and their analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites, and prodrugs thereof as PRMT5 inhibitors; their preparation and use in the treatment of and/or prevention of various diseases, including cancer and infectious diseases. Compounds of formula I wherein A is substituted isoquinolinyl, dihydroindenylamino; dashed bond is optional single or double bond; n = 0-1; m = 0-2; p = 1-2; q = 1-3; R1 – R6 are independently H, halo, OH, etc.; R7 is H, C1-6 (un)substituted alkyl, (un)substituted aryl, etc.; R8 is absent, H, halo, C1-6 alkyl, etc.; R10 is H, halo, OH, CN, etc.; X, Y and Z are independently NH and derivatives, O, S, etc.; W and B are independently N and C; and their analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites, and prodrugs thereof, are claimed. Example compound II was prepared by amidation of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid with 1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol. The invention compounds were evaluated for their PRMT5 inhibitory activity. From the assay, it was determined that compound II exhibited IC50 value ranged from 0.01-1 渭M. The experimental process involved the reaction of 6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid(cas: 1774893-22-9).Synthetic Route of 1774893-22-9

The Article related to heterocycle preparation prmt5 inhibitor treatment cancer infection, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.Synthetic Route of 1774893-22-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On May 31, 2019, Vadivelu, Saravanan; Rajagopal, Sridharan; Burri, Raghunadha Reddy; Garapaty, Shivani; Sivanandhan, Dhanalakshmi; Thakur, Manish Kumar; Natarajan, Tamizharasan; Swamy, Indu N.; Nagaraju, Nagendra; Kanagaraj, Subramaniam; Mohd, Zainuddin; Sarkar, Sayantani; Samanta, Swapan Kumar; Hariprakash published a patent.Computed Properties of 1774893-22-9 The title of the patent was Preparation of heterocyclic compounds as PRMT5 inhibitors. And the patent contained the following:

The invention relates to compounds of formula I and their analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites, and prodrugs thereof as PRMT5 inhibitors; their preparation and use in the treatment of and/or prevention of various diseases, including cancer and infectious diseases. Compounds of formula I wherein A is substituted isoquinolinyl, dihydroindenylamino; dashed bond is optional single or double bond; n = 0-1; m = 0-2; p = 1-2; q = 1-3; R1 – R6 are independently H, halo, OH, etc.; R7 is H, C1-6 (un)substituted alkyl, (un)substituted aryl, etc.; R8 is absent, H, halo, C1-6 alkyl, etc.; R10 is H, halo, OH, CN, etc.; X, Y and Z are independently NH and derivatives, O, S, etc.; W and B are independently N and C; and their analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites, and prodrugs thereof, are claimed. Example compound II was prepared by amidation of 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid with 1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol. The invention compounds were evaluated for their PRMT5 inhibitory activity. From the assay, it was determined that compound II exhibited IC50 value ranged from 0.01-1 渭M. The experimental process involved the reaction of 6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid(cas: 1774893-22-9).Computed Properties of 1774893-22-9

The Article related to heterocycle preparation prmt5 inhibitor treatment cancer infection, Heterocyclic Compounds (More Than One Hetero Atom): Fused-Ring Systems With Two Or More Hetero Atoms, No More Than One Hetero Atom Per Ring and other aspects.Computed Properties of 1774893-22-9

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On April 30, 2009, Seenivasaperumal, Muthu; Federsel, Hans-Jurgen; Szabo, Kalman J. published an article.Quality Control of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole The title of the article was Mechanism of the asymmetric sulfoxidation in the esomeprazole process: effects of the imidazole backbone for the enantioselection. And the article contained the following:

The asym. sulfoxidation reaction of imidazole-based prochiral sulfides was studied to explore the mechanistic details of the highly efficient esomeprazole process, which is one of the few industrial scale catalytic asym. procedures. The synthetic studies revealed that the smallest subunit governing the selectivity in the esomeprazole process is an imidazole ring. Thus, by using the esomeprazole procedure Me imidazole sulfide could be oxidized as efficiently as its several functionalized derivatives, including pyrmetazol. However, alkylation of the imidazole nitrogen led to a major drop of the enantioselectivity. Our atm. pressure chem. ionization-mass spectrometry (APCI/MS) studies indicate that addition of small amounts of water to the reaction mixture facilitates the formation of mononuclear titanium species, which are the active catalytic intermediates of the selective oxidation reaction. One of the most important features of the esomeprazole procedure is that amine additives increase the enantioselectivity of the oxidation process. The NMR studies of the presumed reaction intermediates show that under catalytic conditions the amines are able to coordinate to titanium and dissociate the coordinated imidazole substrate. The d. functional theory (DFT) modeling studies provided new insights in the mechanism of the asym. induction. It was found that the oxidation requires a lower activation energy if the imidazole sulfide precursor does not coordinate to titanium. Two possible reaction paths were explored for this out of sphere oxidation mechanism. The most important interaction governing the enantioselection is hydrogen bonding between the N-H of the imidazole ring and the chiral tartrate ligand on titanium. Furthermore, the oxidation reaction imposes an important structural constraint to the TS structure involving a linear arrangement of the peroxide oxygens and the sulfur atom. This constraint and the N coordination of imidazole leads to a very strained structure for the inner sphere mechanism of the oxidation, which leads to a much higher activation barrier than the corresponding out of sphere process, and therefore it is unlikely. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Quality Control of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

The Article related to mechanism asym sulfoxidation esomeprazole process effect imidazole backbone enantioselection, Physical Organic Chemistry: Stereochemistry and Stereochemical Relationships, Including Conformational Inversions and Rotational Isomerization and other aspects.Quality Control of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On March 26, 2015, Duggan, Karen Annette published a patent.Electric Literature of 40644-16-4 The title of the patent was Preparation of biphenyl propanamide compounds for the treatment of hypertension and/or fibrosis. And the patent contained the following:

The present invention relates to novel compounds and their use in the prophylactic and/or therapeutic treatment of hypertension and/or fibrosis. The invention relates to novel terphenyl compounds of formula I [wherein A is selected from (un)substituted Ph, pyridinyl, indazolyl, etc.] or stereoisomers or pharmaceutically acceptable salts thereof, which are claimed and exemplified. II was prepared via a multistep procedure (preparation given). Antihypertensive activity of compounds of formula I was evaluated in spontaneously hypertensive rats on a high salt diet following 4 wks of therapy (data given). The experimental process involved the reaction of 4-Bromo-1H-benzo[d]imidazol-2(3H)-one(cas: 40644-16-4).Electric Literature of 40644-16-4

The Article related to biphenyl propanamide compound preparation hypertension fibrosis, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Phenols, Thiophenols, and Derivatives Including Phenol and Thiophenol Ethers and Esters and other aspects.Electric Literature of 40644-16-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem