Category: 39115-95-2

Pflegr, Vaclav published the artcile5-Aryl-1,3,4-oxadiazol-2-amines Decorated with Long Alkyl and Their Analogues: Synthesis, Acetyl- and Butyrylcholinesterase Inhibition and Docking Study, SDS of cas: 39115-95-2, the publication is Pharmaceuticals (2022), 15(4), 400, database is CAplus and MEDLINE.

The compounds 5-aryl-1,3,4-oxadiazoles/thiadiazols decorated with dodecyl linked via nitrogen, sulfur or directly to this heterocycle I [R = Ph, 4-MeC₆H₄, 4-tBuC₆H₄, etc.,; X = O, S; Y = NH, S] was designed as potential inhibitors of AChE and BChE. Oxadiazoles/thiadiazols derivatives I were prepared from hydrazides by reaction with dodecyl isocyanate to form hydrazine-1-carboxamides II (yields 67-98%) followed by cyclization using p-toluenesulfonyl chloride and triethylamine in 41-100% yields. The derivatives I were screened for inhibition of AChE and BChE using Ellman’s spectrophotometric method. The compounds I showed a moderate dual inhibition with IC₅₀ values of 12.8-99.2 for AChE and from 53.1μM for BChE. All the heterocycles I were more efficient inhibitors of AChE. The most potent inhibitor, N-dodecyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine I [R =4-pyridyl, X= S, Y = NH] was subjected to advanced reversibility and type of inhibition evaluation. Structure-activity relationships of heterocycles I were identified. Many oxadiazoles I showed lower IC₅₀ values against AChE than established drug rivastigmine. According to mol. docking, the compounds I interact non-covalently with AChE and BChE and block entry into enzyme gorge and catalytic site, resp.

Pharmaceuticals published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, SDS of cas: 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Kratky, Martin published the artcileNovel Iodinated Hydrazide-hydrazones and their Analogues as Acetyl- and Butyrylcholinesterase Inhibitors, Related Products of iodides-buliding-blocks, the publication is Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) (2020), 20(23), 2106-2117, database is CAplus and MEDLINE.

Background: Hydrazide-hydrazones have been known as scaffold with various biol. activities including inhibition of acetyl- (AChE) and butyrylcholinesterase (BuChE). Cholinesterase inhibitors are mainstays of dementias treatment. Objective: Twenty-five iodinated hydrazide-hydrazones and their analogs were designed as potential central AChE and BuChE inhibitors. Methods: Hydrazide-hydrazones were synthesized from 4-substituted benzohydrazides and 2-/4- hydroxy-3,5-diiodobenzaldehydes. The compounds were investigated in vitro for their potency to inhibit AChE from elec. eel and BuChE from equine serum using Ellmans method. We calculated also physicochem. and structural parameters for CNS delivery. Results: The derivatives exhibited a moderate dual inhibition with IC₅₀ values ranging from 15.1-140.5 and 35.5 to 170.5 μmol.L^-1 for AChE and BuChE, resp. Generally, the compounds produced a balanced or more potent inhibition of AChE. N′-[(E)-(4-Hydroxy-3,5-diiodophenyl)methylidene]-4- nitrobenzohydrazide 2k and 4-fluoro-N′-(2-hydroxy-3,5-diiodobenzyl)benzohydrazide 3a were the most potent inhibitors of AChE and BuChE, resp. Structure-activity relationships were established, and mol. docking studies confirmed interaction with enzymes. Conclusion: Many novel hydrazide-hydrazones showed lower IC₅₀ values than rivastigmine against AChE and some of them were comparable for BuChE to this drug used for the treatment of dementia. They interact with cholinesterases via non-covalent binding into the active site. Based on the BOILEDEgg approach, the majority of the derivatives met the criteria for blood-brain-barrier permeability.

Current Topics in Medicinal Chemistry (Sharjah, United Arab Emirates) published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Related Products of iodides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Masunari, Andrea published the artcileGeneration and analysis of interaction energy maps of p-substituted benzoic acid N’-(5-nitrothiophen-2-yl)methylenehydrazides active against multidrug-resistant Staphylococcus aureus, Category: iodides-buliding-blocks, the publication is Anti-Infective Agents in Medicinal Chemistry (2010), 9(1), 1-8, database is CAplus.

Studies in 3D mol. fields generally contain a large amount of data, some of which are redundant or not relevant. The program Volsurf, a quite fast method, is able to compress the relevant information present in 3D mol. structures into a few descriptors that represent the physicochem. properties. In this study eighteen p-substituted benzoic acid N’-(5-nitrothiophen-2-yl)methylenehydrazides with antimicrobial activity were evaluated against multidrug-resistant Staphylococcus aureus, correlating the three-dimensional characteristics of the ligands with their resp. bioactivities. Structures were obtained by CORINA program, and using a GRID force field, the following probes have been used to generate their corresponding 3D interaction energies (MIFs): water, DRY, carbonyl oxygen atom and amide NH group. Calculations using Volsurf resulted in a statistically consistent model with 48 structural descriptors showing that hydrophobicity is a fundamental property in the analyzed biol. response. Results have shown the potential of studied compounds as alternatives to the treatment of infections caused by multidrug-resistant Staphylococcus aureus.

Anti-Infective Agents in Medicinal Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Category: iodides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Majumdar, K. C. published the artcileThe synthesis and optical properties of novel triphenylamine containing 1,3,4-oxadiazole derivatives, Safety of 4-Iodobenzohydrazide, the publication is Journal of Luminescence (2013), 321-327, database is CAplus.

Sym. 4,4′,4”-trisubstituted triphenylamine derivatives containing 1,3,4-oxadiazole moiety bearing long aliphatic chains have been synthesized by employing convenient and simple synthetic protocols. The structures of these target mols. were established by their anal. and spectral data. They exhibit good fluorescence properties with high quantum yield and show very efficient fluorescence quenching in presence of p-nitrotoluene.

Journal of Luminescence published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Safety of 4-Iodobenzohydrazide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Zhang, Ziyi published the artcileStudies on acylthiosemicarbazides and related heterocyclic derivatives. (XVII). Synthesis of 1-arylformyl-4-[4′-(2,2,6,6-tetramethylpiperidine)-1-oxy]thiosemicarbazide compounds, COA of Formula: C7H7IN2O, the publication is Gaodeng Xuexiao Huaxue Xuebao (1991), 12(8), 1056-60, database is CAplus.

Twenty-one title compounds I (R = Ph, pyridyl, 1-naphthyl, 2-phenyl-4-quinolyl, R¹C₆H₄; R¹ = 2-F, 3-F, 4-F, 2-Cl, 3-Cl, 4-Cl, 2-Br, 3-Br, 4-Br, 4-iodo, 4-Me, 3-Me, 2-MeO, 4-MeO, 2-NO₂, 3-NO₂, 4-NO₂) were prepared and characterized by IR, mass spectrometry, and ESR. Preliminary results show that I are inhibitors of L₇₇₁₂ leukemia cells.

Gaodeng Xuexiao Huaxue Xuebao published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C4H7BrO2, COA of Formula: C7H7IN2O.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Aurelio, Luigi published the artcileFrom Sphingosine Kinase to Dihydroceramide Desaturase: A Structure-Activity Relationship (SAR) Study of the Enzyme Inhibitory and Anticancer Activity of 4-((4-(4-Chlorophenyl)thiazol-2-yl)amino)phenol (SKI-II), Quality Control of 39115-95-2, the publication is Journal of Medicinal Chemistry (2016), 59(3), 965-984, database is CAplus and MEDLINE.

The sphingosine kinase (SK) inhibitor, SKI-II, has been employed extensively in biol. investigations of the role of SK1 and SK2 in disease and has demonstrated impressive anticancer activity in vitro and in vivo. However, interpretations of results using this pharmacol. agent are complicated by several factors: poor SK1/2 selectivity, addnl. activity as an inducer of SK1-degradation, and off-target effects, including its recently identified capacity to inhibit dihydroceramide desaturase-1 (Des1). In this study, we have delineated the structure-activity relationship (SAR) for these different targets and correlated them to that required for anticancer activity and determined that Des1 inhibition is primarily responsible for the antiproliferative effects of SKI-II and its analogs. In the course of these efforts, a series of novel SK1, SK2, and Des1 inhibitors have been generated, including compounds with significantly greater anticancer activity.

Journal of Medicinal Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Quality Control of 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Andrade, Carolina H. published the artcileFragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents, Recommanded Product: 4-Iodobenzohydrazide, the publication is Molecular Diversity (2008), 12(1), 47-59, database is CAplus and MEDLINE.

Worldwide, tuberculosis (TB) is the leading cause of death among curable infectious diseases. Multidrug-resistant Mycobacterium tuberculosis is an emerging problem of great importance to public health, and there is an urgent need for new anti-TB drugs. In the present work, classical 2D quant. structure-activity relationships (QSAR) and hologram QSAR (HQSAR) studies were performed on a training set of 91 isoniazid derivatives Significant statistical models (classical QSAR, q ² = 0.68 and r ² = 0.72; HQSAR, q ² = 0.63 and r ² = 0.86) were obtained, indicating their consistency for untested compounds The models were then used to evaluate an external test set containing 24 compounds which were not included in the training set, and the predicted values were in good agreement with the exptl. results (HQSAR,; classical QSAR).

Molecular Diversity published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Recommanded Product: 4-Iodobenzohydrazide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Andrade, Carolina Horta published the artcileThree-dimensional quantitative structure-activity relationships for a large series of potent antitubercular agents, Name: 4-Iodobenzohydrazide, the publication is Letters in Drug Design & Discovery (2008), 5(6), 377-387, database is CAplus.

Comparative mol. field anal. (CoMFA) studies were conducted on a series of 100 isoniazid derivatives as anti-tuberculosis agents using two receptor-independent structural data set alignment strategies: (1) rigid-body fit, and (2) pharmacophore-based. Significant cross-validated correlation coefficients were obtained (CoMFA(1), q² = 0,75 and CoMFA(2), q² = 0.74), indicating the potential of the models for untested compounds The models were then used to predict the inhibitory potency of 20 test set compounds that were not included in the training set, and the predicted values were in good agreement with the exptl. results.

Letters in Drug Design & Discovery published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Name: 4-Iodobenzohydrazide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Schmidt, Stefanie published the artcileDual IGF-1R/SRC inhibitors based on a N’-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure, SDS of cas: 39115-95-2, the publication is European Journal of Medicinal Chemistry (2011), 46(7), 2759-2769, database is CAplus and MEDLINE.

The N’-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series, I, produced a selective growth inhibition in a panel of cultivated cancer cell lines.

European Journal of Medicinal Chemistry published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, SDS of cas: 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Changsheng published the artcileMolecular Wires Comprising π-Extended Ethynyl- and Butadiynyl-2,5-Diphenyl-1,3,4-Oxadiazole Derivatives: Synthesis, Redox, Structural, and Optoelectronic Properties, Recommanded Product: 4-Iodobenzohydrazide, the publication is Journal of the American Chemical Society (2006), 128(11), 3789-3799, database is CAplus and MEDLINE.

2,5-Diphenyl-1,3,4-oxadiazole (OXD) derivatives with terminal ethynyl- I (R = Me₃C, 2-ethylhexyloxy) and butadiynyl- II[R = Me₃C (III), dodecyloxy(IV)] substituents were synthesized in high yields. 2-Methyl-3,5-hexadiyn-2-ol was not exploited previously in the synthesis of terminal butadiynes. Crystals of II are remarkably stable to long-term storage under ambient conditions. The x-ray crystal structure of III reveals that the butadiyne moieties are spatially isolated by the aromatic moieties, which explains the high stability. Two series of derived π-conjugated mols., Donor-(CC)_n-OXD (n = 1, 2) and OXD-(CC)_n-Donor-(CC)_n-OXD (n = 1) [Donor = tetrathiafulvalene (TTF), bithiophene, 9-(4,5-dimethyl-1,3-dithiol-2-ylidene)fluorene, and triphenylamine], were synthesized using Sonogashira reactions and characterized by x-ray crystallog., cyclic voltammetry, and optical absorption/emission spectroscopy. The electron-withdrawing effect of the OXD units is manifested by a pos. shift of the donor oxidation waves in these systems: the butadiynylene spacer (n = 2) further shifts the first oxidation waves by 40-80 mV compared to analogs n = 1. The absorption spectra of TTF-OXD hybrids V and VI are blue-shifted by 80 nm compared to a bithienyl-bridged derivative and are similar to the butadiynyl-OXD building-block III, demonstrating that conjugation is disrupted by a neutral TTF unit. Solutions of the TTF-OXD and 9-(4,5-dimethyl-1,3-dithiol-2-ylidene)fluorene-OXD hybrids, V–VII are only very weakly fluorescent due to quenching from the electron-donor moieties. But the triphenylamine-OXD hybrids analogs are fluorescent; the PLQY’s of the butadiynylene derivatives are lower than those of the ethynylene-bridged analogs.

Journal of the American Chemical Society published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C17H18N3NaO3S, Recommanded Product: 4-Iodobenzohydrazide.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com