Category: iodides-buliding-blocks

Nakagawa, Yoshiaki published the artcile3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues, Category: iodides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry (2000), 8(11), 2663-2673, database is CAplus and MEDLINE.

Two hundred and seventy-one compounds including benzoylureas, arylureas and related compounds were assayed using recombinant murine soluble epoxide hydrolase (MsEH) produced from a baculovirus expression system. Among all the insect growth regulators assayed, 18 benzoylphenylurea congeners showed weak activity against MsEH. Newly synthesized cyclohexylphenylurea, 1-benzyl-3-phenylurea, and 1,3-dibenzylurea analogs were rather potent. The introduction of a Me group at the para-position of the Ph ring of cyclohexylphenylurea enhanced the activity 6-fold, though similar substituent effects were not seen for any of the benzoylphenylureas. The activities of these compounds, including several previously reported compounds, such as dicyclohexylurea, diphenylurea, and their related analogs, were quant. analyzed using comparative mol. field anal. (CoMFA), a three-dimensional quant. structure-activity relationship (3-D QSAR) method. Both steric and electrostatic factors contributing to variations in the activity were visualized using CoMFA. CoMFA results showed that one side of the cyclohexylurea moiety having a trans-amide conformation (A-ring moiety) is surrounded by large sterically unfavorable fields, while the other side of A-ring moiety and the other cyclohexyl group (B-ring moiety) is encompassed by sterically favored fields. Electrostatically neg. fields were scattered around the entire mol., and a pos. field surrounds the carbon of the carbonyl group. Hydrophobic fields were visualized using Kellogg’s hydropathic interaction (HINT) in conjunction with CoMFA. Hydrophobically favorable fields appeared beside the 4- and 4′-carbon atoms of the cyclohexyl groups, and hydrophobically unfavorable fields surrounded the urea bridge. The addition of the mol. hydrophobicity, it> /it>, to CoMFA did not improve the correlation significantly. The ligand-binding interactions shown by x-ray crystallog. data were rationalized using the results of the CoMFA and HINT analyses, and the essential physicochem. parameters for the design of new MsEH inhibitors were disclosed.

Bioorganic & 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

Nakagawa, Yoshiaki published the artcile3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues. [Erratum to document cited in CA134:174695], SDS of cas: 39115-95-2, the publication is Bioorganic & Medicinal Chemistry (2001), 9(7), 1941, database is CAplus.

The term “log P” was omitted from three sentences in the manuscript. On page 2663, line 16 of the Abstract should read, “The addition of the mol. hydrophobicity, log P, to CoMFA did not improve the correlation significantly.”. On page 2665, line 6 of the right column should read, “The hydrophobic effects were examined using either HINT terms or log P values as an addnl. independent variable.”. On page 2665, line 10 of the right column should read, “The correlations of the biol. activity index with the lattice variables and log P were analyzed by the partial least squares (PLS) method with a column filtering setting of 2 kcal mol^-1.”.

Bioorganic & 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

Dowd, Paul published the artcileA general approach to substituted itaconate esters, Application In Synthesis of 31253-08-4, the publication is Synthetic Communications (1993), 23(16), 2307-22, database is CAplus.

General approaches to the synthesis of various itaconates, including 3-substituted esters, are presented. The complementary nature of the 3 methods is also shown. Thus, alkylation of Me₂NCH₂CH₂CO₂Et by treatment with LiN(CHMe₂)₂ (LDA), then RCHXCO₂R² (e.g., R = H, R² = Et, X = Br) affords Me₂NCH₂CH(CO₂R¹)CHRCO₂R² (42-82% yield) which are then quaternized with MeI and treated with DBU to give the elimination products, itaconate diesters RCH(CO₂R²)C(:CH₂)CO₂R¹ (86-93% yield). Deprotonation of Me₂NCH₂CH(CO₂R¹)CH₂CO₂R² (e.g., R¹ = R² = Et) with LDA and subsequent alkylation with RX (e.g., MeI) affords Me₂NCH₂CH(CO₂R¹)CHRCO₂R² in 17-46% yield. Subsequent quaternization and elimination reaction of the latter afford itaconate diesters RCH(CO₂R²)C(:CH₂)CO₂R¹ in good yield. A third alternative procedure consists of deprotonation of (EtO)₂P(O)CH₂CO₂R¹ with NaH, alkylation with RCHXCO₂R² to give (EtO)₂P(O)CH(CO₂R¹)CHRCO₂R² (51-74% yield), and subsequent methylenation with HCHO to give the itaconate diesters in 55-93% yield.

Synthetic Communications published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Application In Synthesis of 31253-08-4.

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

Zingaro, Ralph A. published the artcileInfrared studies of amine-halogen interactions, Application In Synthesis of 6443-90-9, the publication is Journal of Physical Chemistry (1960), 1705-11, database is CAplus.

The marked changes which are brought about in the 1000-cm.^-1 region of the infrared spectrum of pyridine on the addition of I are generally characteristic of amine-halogen solutions Infrared studies on a series of solutions of amines and halogens revealed corresponding infrared shifts. Several new solid amine-halogen complexes were isolated, and, in every case, the frequency shifts in solution were correlated with infrared bands characteristic of the solids.

Journal of Physical Chemistry published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C13H19Br2ClN2O, Application In Synthesis of 6443-90-9.

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

Mokhtar, Hassan M. published the artcileSynthesis of nitrogenous compounds from δ-unsaturated 1,3-dicarbonyl esters: trisubstituted pyrazoles of possible antimicrobial and hypoglycemic activities and hydrazones with antituberculosis activity, Recommanded Product: 4-Iodobenzohydrazide, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1985), 24B(2), 188-92, database is CAplus.

R¹CH:CRCOCH₂COCO₂Et (I, R = H, Me, Ph; R¹ = 3-methylbenzofuran-2-yl, 2-phenyl-2H-1,2,3-triazol-4-yl) were prepared by condensing R¹CH:CRCOMe (II) with Et oxalate in dry ether. Treating I with hydrazine and arylhydrazines caused cyclization to the corresponding Et substituted pyrazole-3-carboxylates, e.g., III, which were hydrolyzed to acids or converted into acid hydrazides. Condensing I with acylhydrazines gave hydrazones which were cyclized to the corresponding N-acylpyrazoles. Treating I with HONH₂ gave 3,5-disubstituted isoxazoles, e.g., IV, whereas using o-phenylenediamine gave hydroxyquinoxalines. Reaction of II with arylhydrazines gave the corresponding hydrazones, which on boiling with EtOH-HCl cyclized to pyrazolines. Treating the latter compounds with excess bromine-water gave the brominated pyrazoles. Condensing II with acylhydrazines gave the corresponding acylhydrazones.

Indian Journal of Chemistry, Section B: Organic Chemistry Including 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, Recommanded Product: 4-Iodobenzohydrazide.

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

Rousseau, Lidie published the artcileRelevance of Single-Transmetalated Resting States in Iron-Mediated Cross-Couplings: Unexpected Role of σ-Donating Additives, Application In Synthesis of 638-45-9, the publication is Inorganic Chemistry (2021), 60(11), 7991-7997, database is CAplus and MEDLINE.

Control of the transmetalation degree of organoiron(II) species is a critical parameter in numerous Fe-catalyzed cross-couplings to ensure the success of the process. In this report, we however demonstrate that the selective formation of a monotransmetalated Fe^II species during the catalytic regime counterintuitively does not alone ensure an efficient suppression of the nucleophile homocoupling side reaction. It is conversely shown that a fine control of the transmetalation degree of the transient Fe^III intermediates obtained after the activation of alkyl electrophiles by a single-electron transfer (SET), achievable using σ-donating additives, accounts for the selectivity of the cross-coupling pathway. This report shows for the first time that both coordination spheres of Fe^II resting states and Fe^III short-lived intermediates must be efficiently tuned during the catalytic regime to ensure high coupling selectivities.

Inorganic Chemistry published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Application In Synthesis of 638-45-9.

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

Mendoza, Manuel published the artcileIndolactam dipeptides as nanomolar Gli inhibitors, Recommanded Product: 1-Iodohexane, the publication is ACS Medicinal Chemistry Letters (2022), 13(7), 1036-1042, database is CAplus and MEDLINE.

The Gli transcription factors within the Hedgehog (Hh) signaling pathway play essential roles in human development. However, the reactivation of Gli proteins in adult tissue is tumorigenic and drives the progression of several cancers, including the majority of basal cell carcinomas. Here we describe a novel set of indolactam dipeptides that target protein kinase C (PKC), exploiting the unique capacity of PKC isoenzymes to act as regulators of Gli. We devised an efficient synthetic route for the indolactam-based natural product (-)-pendolmycin and a series of analogs, and we evaluated these analogs in mechanistically distinct Gli reporter assays. The lead compound from these studies, N-hexylindolactam V (I), exhibits superior Gli suppression relative to clin. inhibitors and blocks the growth of Gli-dependent basal cell carcinoma cells. More broadly, our structure-activity studies provide inroads for the development of novel Gli antagonists and new avenues for combating Gli-driven cancers.

ACS Medicinal Chemistry Letters published new progress about 638-45-9. 638-45-9 belongs to iodides-buliding-blocks, auxiliary class Iodide,Aliphatic hydrocarbon chain, name is 1-Iodohexane, and the molecular formula is C6H13I, Recommanded Product: 1-Iodohexane.

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

Valente, Sergio published the artcile1,3,4-Oxadiazole-Containing Histone Deacetylase Inhibitors: Anticancer Activities in Cancer Cells, Application of 4-Iodobenzohydrazide, the publication is Journal of Medicinal Chemistry (2014), 57(14), 6259-6265, database is CAplus and MEDLINE.

We describe 1,3,4-oxadiazole-containing hydroxamates and 2-aminoanilides as histone deacetylase inhibitors. Among them, N-hydroxy-3-(4-((5-(1-naphthylmethyl)-1,3,4-oxadiazol-2-yl)methyl)phenyl) acrylamide (1), N-hydroxy-4-((5-(1-naphthylmethyl)-1,3,4-oxadiazol-2-yl)methyl)benzamide (2), and N-(2-aminophenyl)-4-((5-(1-naphthylmethyl)-1,3,4-oxadiazol-2-yl)methyl)benzamide (3) were the most potent and selective against HDAC1. In U937 leukemia cells, (1) was more potent than vorinostat (SAHA) in inducing apoptosis, and (3) displayed cell differentiation with a potency similar to MS-275. In several acute myeloid leukemia (AML) cell lines, as well as in U937 cells in combination with doxorubicin, (3) showed higher antiproliferative effects than SAHA.

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 C14H10N2O, Application of 4-Iodobenzohydrazide.

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

Tornero, J. D. published the artcileMixed halide complexes of tin(IV) with pyridine, Recommanded Product: Pyridine Iodochloride complex, the publication is Anales de Quimica, Serie B: Quimica Inorganica y Quimica Analitica (1986), 82(2), 145-9, database is CAplus.

By oxidative-addition reactions of X₂ (X = Br, I) and XI.py (X = Cl, Br) to SnCl₂ in the presence of pyridine, SnCl₂X₂py₂ (X = Br, I), SnCl₃Ipy₂ and SnCl₂BrIpy₂ were obtained and studied by vibrational and ¹¹⁹Sn Moessbauer spectroscopy. A C_2v symmetry, with the ligands in trans positions, was proposed for SnCl₂Br₂py₂, whereas Moessbauer spectra of the remaining species show the presence of some impurities. A linear regression between the position of some pyridine bands in the IR spectra and the average electronegativity of halogens was observed, the υ₄ frequency being the most sensitive with respect to the metal-ligand bond strength.

Anales de Quimica, Serie B: Quimica Inorganica y Quimica Analitica published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C3H5BN2O2, Recommanded Product: Pyridine Iodochloride complex.

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

Kashin, A. N. published the artcileReactivity of organotin compounds. XXVII. New method for the activation of organotin compounds in electrophilic substitution reactions. Study of the reaction kinetics of α-stannylated esters with iodine in the presence of triorganoiodostannanes, Synthetic Route of 31253-08-4, the publication is Zhurnal Organicheskoi Khimii (1984), 20(8), 1611-20, database is CAplus.

The kinetics of the reactions of R₃SnCHR¹CO₂R² (R = Me, Et, Bu; R¹ = H, Me, Ph; R² = Me, Et, Me₂CH, Me₃C) with iodine in DMF containing KI was studied. The reaction is autocatalytic with formation of R₃SnI, and the final product is ICHR¹CO₂R². In the presence of excess R₃SnI the reaction is 2nd order overall, 1st order in each reactant, and its rate is not dependent on the KI and R₃SnI concentrations

Zhurnal Organicheskoi Khimii published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Synthetic Route of 31253-08-4.

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