Tag: M.W=250-300

Xu, F. Z. published the artcileDesign, synthesis, insecticidal activity and 3D-QSR study for novel trifluoromethyl pyridine derivatives containing an 1,3,4-oxadiazole moiety, SDS of cas: 39115-95-2, the publication is RSC Advances (2018), 8(12), 6306-6314, database is CAplus and MEDLINE.

A series of trifluoromethyl pyridine derivatives containing 1,3,4-oxadiazole moiety I (R = H, 3-Cl-4-CH₃, 3-CH₃, etc.) was designed, synthesized and bio-assayed for their insecticidal activity. The result of bio-assays indicated the synthesized compounds exhibited good insecticidal activity against Mythimna separata and Plutella xylostella, most of the title compounds show 100% insecticidal activity at 500 mg L^-1 and >80% activity at 250 mg L^-1 against the two pests. Compounds I (R = 2-CF₃) and 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-(4-fluorobenzyl)-1,3,4-oxadiazole showed LC₅₀ values of 38.5 and 30.8 mg L^-1 against Mythimna separata, resp., which were close to that of avermectin (29.6 mg L^-1). Compounds I (R = 3,5-Cl₂, 4-C₂H₅, 2-Cl-5-Br, 4-I, 3,4-Cl₂, 2-I, 3-N(CH₃)₂) and 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-(4-fluorobenzyl)-1,3,4-oxadiazole showed 100% activity at 250 mg L^-1, which were better than chlorpyrifos (87%). CoMFA and CoMSIA models with good predictability were proposed, which revealed the electron-withdrawing groups with an appropriate bulk at 2- and 4-positions of benzene ring could enhance insecticidal activity.

RSC Advances 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 C17H20ClN3, SDS of cas: 39115-95-2.

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

Yang, Xinyi published the artcileQuinoline-based fluorescent probe for the detection and monitoring of hypochlorous acid in a rheumatoid arthritis model, Quality Control of 606-55-3, the publication is RSC Advances (2021), 11(50), 31656-31662, database is CAplus and MEDLINE.

The development of effective bioanal. methods for the visualization of hypochlorous acid (HOCl) in situ in rheumatoid arthritis (RA) directly contributes to better understanding the roles of HOCl in this disease. In this work, a new quinoline-based fluorescence probe (HQ) has been developed for the detection and visualization of a HOCl-mediated inflammatory response in a RA model. HQ possesses a donor-π-acceptor (D-π-A) structure that was designed by conjugating p-hydroxybenzaldehyde (electron donor) and 1-ethyl-4-methylquinolinium iodide (electron acceptor) through a CC double bond. In the presence of HOCl, oxidation of phenol to benzoquinone led to the red-shift (93 nm) of the adsorption and intense quenching of the fluorescence emission. The proposed response reaction mechanism was verified by high performance liquid chromatog. (HPLC) and high-resolution mass spectroscopy (HRMS) titration anal. The remarkable color changes of the HQ solution from pale yellow to pink enabled the application of HQ-stained chromatog. plates for the “naked-eye” detection of HOCl in real-world water samples. HQ featured high selectivity and sensitivity (6.5 nM), fast response time (<25 s) to HOCl, reliability at different pH (3.0 to 11.5) and low cytotoxicity. HQ’s application in biol. systems was then demonstrated by the monitoring of HOCl-mediated treatment response to RA. This work thus provided a new tool for the detection and imaging of HOCl in inflammatory disorders.

RSC Advances published new progress about 606-55-3. 606-55-3 belongs to iodides-buliding-blocks, auxiliary class Quinoline,Salt, name is 1-Ethyl-2-methylquinolin-1-ium iodide, and the molecular formula is C38H74Cl2N2O4, Quality Control of 606-55-3.

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

Pandey, Shyam S. published the artcileEffect of extended π-conjugation on photovoltaic performance of dye sensitized solar cells based on unsymmetrical squaraine dyes, Recommanded Product: 1-Ethyl-2-methylquinolin-1-ium iodide, the publication is Tetrahedron (2013), 69(12), 2633-2639, database is CAplus.

Aiming toward the far-red to near IR photon harvesting, three new unsym. squaraine dyes bearing direct ring carboxy functionalized indole as an anchoring moiety with varying donor groups with extended π-conjugation have been successfully synthesized and utilized for dye-sensitized solar cell fabrication. Under simulated solar irradiation, dye SQ-8 gave a photoconversion efficiency of 3.3% mainly harvesting photons in the far-red region between 500 and 700 nm. By extending the π-conjugation of the donor moieties in the novel unsym. squaraine dyes, it was possible to extend the light absorption from far-red to near IR wavelength region. In spite of good light absorption up to 900 nm and energetic matching, dye SQ-16 was found to exhibit decreased photon harvesting, which was explained by the enhanced dye aggregation along with its difficulty in facile electron injection as indicated from electronic absorption spectroscopic and d. functional theory calculation results, resp.

Tetrahedron published new progress about 606-55-3. 606-55-3 belongs to iodides-buliding-blocks, auxiliary class Quinoline,Salt, name is 1-Ethyl-2-methylquinolin-1-ium iodide, and the molecular formula is C12H14IN, Recommanded Product: 1-Ethyl-2-methylquinolin-1-ium iodide.

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

Su, Bo published the artcileDiversity-Oriented Synthesis through Rh-Catalyzed Selective Transformations of a Novel Multirole Directing Group, Product Details of C7H7IN2O, the publication is ChemCatChem (2015), 7(18), 2986-2990, database is CAplus.

In the context of transition-metal-catalyzed C-H functionalization, directing-group strategy was developed for the improvement of chem. reactivity and selectivity. Recently, to avoid the inherent limitations of traditional mono-role directing groups, a dual-role oxidizing-directing-group strategy was developed, in which the directing group acts both as directing group and oxidant. Herein, the authors report a multirole directing group, which possesses multiple reactive sites, exhibits unique reactivity and selectivity, and leads to four different types of products from a single starting material through rhodium-catalyzed C-H activation/alkyne annulation reactions. The excellent product diversity and regio- and redox selectivity were well controlled by the tuning of solvents and oxidants.

ChemCatChem 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 C4H5F3N2O3S, Product Details of C7H7IN2O.

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

Zhang, Ziyi published the artcileSynthesis and anticancer activity of N-carbamoyl-N’-(1-oxy-2,2,5,5-tetramethylpyrrolin-3-yl)urea compounds, Recommanded Product: 4-Iodobenzohydrazide, the publication is Gaodeng Xuexiao Huaxue Xuebao (1989), 10(12), 1202-7, database is CAplus.

By the addition of 1-oxy-2,2,5,5-tetramethylpyrroline-3-isocyanate, synthesized by seven steps, to substituted hydrazides with biol. activity, nineteen title compounds were synthesized. The characteristics of ESR, IR and mass spectra of some were discussed. The preliminary experiment showed that these compounds possess an inhibiting activity on L7712-leukemia cell and ascitic hepatoma.

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 C14H28BNO4, Recommanded Product: 4-Iodobenzohydrazide.

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

Kadesch, Richard G. published the artcileThe steric inhibition of resonance in aromatic carbonyl compounds, Name: 4-Iodobenzohydrazide, the publication is Journal of the American Chemical Society (1941), 1310-14, database is CAplus.

The d., ns and dielec. constants were measured of benzene solutions of acetophenone, acetylmesitylene, acetyldurene, BzH, mesitylaldehyde, BzCl, 2,4,6-Me₃C₆H₂COCl and benzophenone. From these data it is shown by the method of Birtles and Hampson (cf. C. A. 31, 2198.9) that the resonance of compounds of the type PhCOR involving quinoid structures may be inhibited by 2 o-Me groups. This inhibition of resonance is purely a steric effect in which the o-Me groups block the attainment of the completely coplanar configuration necessary in the quinonoid structure. The steric effect depends on the size of the COR group, being absent in the small CHO group while COMe and COCl lead to readily observable effects.

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 C7H7IN2O, Name: 4-Iodobenzohydrazide.

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

Naud, Sebastien published the artcileStructure-Based Design of Orally Bioavailable 1H-Pyrrolo[3,2-c]pyridine Inhibitors of Mitotic Kinase Monopolar Spindle 1 (MPS1), Category: iodides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2013), 56(24), 10045-10065, database is CAplus and MEDLINE.

The protein kinase MPS1 is a crucial component of the spindle assembly checkpoint signal and is aberrantly overexpressed in many human cancers. MPS1 is one of the top 25 genes overexpressed in tumors with chromosomal instability and aneuploidy. PTEN-deficient breast tumor cells are particularly dependent upon MPS1 for their survival, making it a target of significant interest in oncol. The authors report the discovery and optimization of potent and selective MPS1 inhibitors based on the 1H-pyrrolo-[3,2-c]-pyridine scaffold, guided by structure-based design and cellular characterization of MPS1 inhibition, leading to CCT251455. This potent and selective chem. tool stabilizes an inactive conformation of MPS1 with the activation loop ordered in a manner incompatible with ATP and substrate-peptide binding; it displays a favorable oral pharmacokinetic profile, shows dose-dependent inhibition of MPS1 in an HCT116 human tumor xenograft model, and is an attractive tool compound to elucidate further the therapeutic potential of MPS1 inhibition.

Journal of Medicinal Chemistry published new progress about 866638-72-4. 866638-72-4 belongs to iodides-buliding-blocks, auxiliary class Trifluoromethyl,Pyrazole,Fluoride,Iodide, name is 4-Iodo-3-(trifluoromethyl)-1H-pyrazole, and the molecular formula is C4H2F3IN2, 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, 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

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