Tag: M.W=250-300

Cisneros, Jose A. published the artcileA Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors, Computed Properties of 41270-96-6, the publication is Journal of the American Chemical Society (2016), 138(27), 8630-8638, database is CAplus and MEDLINE.

Human macrophage migration inhibitory factor (MIF) is both a keto-enol tautomerase and a cytokine associated with numerous inflammatory diseases and cancer. Consistent with observed correlations between inhibition of the enzymic and biol. activities, discovery of MIF inhibitors has focused on monitoring the tautomerase activity using L-dopachrome Me ester or 4-hydroxyphenyl pyruvic acid as substrates. The accuracy of these assays is compromised by several issues including substrate instability, spectral interference, and short linear periods for product formation. In this work, we report the syntheses of fluorescently labeled MIF inhibitors and their use in the first fluorescence polarization-based assay to measure the direct binding of inhibitors to the active site. The assay allows the accurate and efficient identification of competitive, noncompetitive, and covalent inhibitors of MIF in a manner that can be scaled for high-throughput screening. The results for 22 compounds show that the most potent MIF inhibitors bind with K_d values of ca. 50 nM; two are from our laboratory, and the other is a compound from the patent literature. X-ray crystal structures for two of the most potent compounds bound to MIF are also reported here. Striking combinations of protein-ligand hydrogen bonding, aryl-aryl, and cation-π interactions are responsible for the high affinities. A new chem. series was then designed using this knowledge to yield two more strong MIF inhibitors/binders.

Journal of the American Chemical Society published new progress about 41270-96-6. 41270-96-6 belongs to iodides-buliding-blocks, auxiliary class Pyrimidine,Iodide,Benzene,Immunology/Inflammation,MIF, name is 4-Iodo-6-phenylpyrimidine, and the molecular formula is C10H7IN2, Computed Properties of 41270-96-6.

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

Mikitenko, E. K. published the artcileCyclazines and their analogs. 1. Thiazolopyrimidopyrimidines, Recommanded Product: 1-Ethyl-2-methylquinolin-1-ium iodide, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1992), 692-7, database is CAplus.

3-Aminothiazolo[3,2-a] pyrimidinium salts (I; R = H, OMe) were prepared in 47-71% yield by treating 6-substituted 2-mercaptopyrimidines with Ph α-cyanobenzylbenzosulfonate, α-bromopropionitrile, or Et bromocyanoacetate and heating. Vilsmeier reaction (DMF, POCl₃) of the pyrimidinium salts led to Me formylation in the 5 position and to formation of a new heterocyclic system (thiazolopyrimidopyrimidine). The formyl-substituted thiazolopyrimidopyrimidines were separated as crystalline dark-blue substances having in addition to intense UV absorption bands a less intense, broad absorption band at ∼600 nm with well expressed vibrational structure. The thiazolopyrimidopyrimidines were treated with N-containing heterocyclic quaternary salts or nucleophilic agents (malonodinitrile) to give polymethine dyes.

Khimiya Geterotsiklicheskikh Soedinenii 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

Druzhinin, S. I. published the artcileExcited state relaxation processes of crowned styryl dyes and their metal complexes, Related Products of iodides-buliding-blocks, the publication is Proceedings – Indian Academy of Sciences, Chemical Sciences (1995), 107(6), 721-7, database is CAplus.

The fluorescence of novel crown ether styryl dyes and their complexes with sodium cation was studied. The fluorescence quantum yield of crown ether styryl dyes is higher than that of dyes not containing crown ethers. While absorption and fluorescence spectra of a styryl dye are shifted to high frequency regions, its fluorescence quantum yield in the absence of photoisomerization is practically unchanged, and the rate constant of its fluorescence quenching rises as it forms a complex with the metal ion. The relaxation processes of photoisomerization and recoordination are considered. The adiabatic change of metal ion coordination in the crown ether may proceed in the excited state. The trans-cis photoisomerization of styryl dyes and their metal complexes is a barrierless reaction.

Proceedings – Indian Academy of Sciences, Chemical Sciences 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, Related Products of iodides-buliding-blocks.

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

Abd El-Aal, R. M. published the artcileSynthesis and physicochemical studies of some new quinolinoxazine pentamethine cyanine dyes, Quality Control of 606-55-3, the publication is Arabian Journal of Chemistry (2017), 10(1), 82-90, database is CAplus.

Polymethine cyanine dyes belong to a well-known class of organic compounds, which have been used in photog. and as information storage in laser technol. A series of novel cyanine dyes were synthesized through the formylation of quinolinium[b,c]1,4-oxazine-chloride salt 1. Reaction of compound 2-chloro-3-formyl-quinolinium[b,c]1,4-oxazine-chloride salt 2 with different molar ratios of 2(4)-Me substituted heterocyclic in basic catalysis afforded the corresponding 2-chloroquinolinium[b,c]1,4-oxazine-chloride salt-3[2(4)]-dimethine (3a-c), quinolinium[b,c]-1,4-oxazinechloride salt-2,3[2(4)]-pentamethine (4a-c) and quinolino[b,c]1,4-oxazine-6yl[2(4)]-monomethine-/2,3[2(4)]-pentamethine cyanine dyes (5a-c) resp. The structure of the dyes was characterized by elemental anal., visible absorption, fluorescence emission, IR, ¹H-NMR and mass spectroscopy. A comparison of the visible absorption maxima between compounds 3b, 4b and 5b showed that asym. mono-pentamethine cyanine dye 5b reveals a bathochromic shift than both dimethine 3b and pentamethine cyanine dyes 4b. The absorption spectra of dyes were investigated in organic solvents. The results indicated that the excitation for their color is a simple charge-transfer from oxygen atom of oxazine nucleus and/or nitrogen atom of pyridine (quinoline) nucleus to N-quaternary salts in di-, penta- and mono-/pentamethine cyanine dyes resp. These dyes showed pos. solvatochromism with increased solvent polarity.

Arabian Journal of Chemistry 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, Quality Control of 606-55-3.

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

Patnaik, Lalit N. published the artcileSolvent effects on the absorption spectra of merocyanine dyes, HPLC of Formula: 606-55-3, the publication is Journal of Solution Chemistry (1994), 23(12), 1317-30, database is CAplus.

Solvent effects on the lowest-energy electronic transitions of 2 merocyanines derived from quinoline were studied using 9 different solvent parameters reported in the literature. Relative merits and deficiencies of different parameters were assessed. From the correlation results, attempts were made to propose a solute-solvent interaction mechanism. For an assorted set of 19 solvents, as well as for a set of 9 hydroxylic solvents, excellent results are obtained with correlation equation involving E_T(30) and Hilderbrand’s solubility parameter δ_H.

Journal of Solution Chemistry 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, HPLC of Formula: 606-55-3.

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

Markov, Roman V. published the artcileObservation of optical nonlinearity size enhancement in one-dimensional molecular aggregates, Name: 1-Ethyl-2-methylquinolin-1-ium iodide, the publication is Proceedings of SPIE-The International Society for Optical Engineering (2002), 265-269, database is CAplus.

Thin films of mol. aggregates of pseudoisocyanine were obtained. Delocalization length of exciton wave function was measured with an assumption that an absorption line width is defined by disorder induced mixing of the lowest states of the 1-exciton band. Predicted effect of size enhancement of the nonlinear optical properties for mol. aggregates was observed The assumption used to determine the delocalization length coincides with the observed optical nonlinearity size enhancement.

Proceedings of SPIE-The International Society for Optical Engineering 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, Name: 1-Ethyl-2-methylquinolin-1-ium iodide.

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

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