Tag: M.W=250-300

Shigemitsu, Yasuhiro published the artcileDevelopment of novel functional dye using computed-aided molecular design techniques and its application to reagents for clinical test, etc., Product Details of C12H14IN, the publication is Nagasaki-ken Kogyo Gijutsu Senta Kenkyu Hokoku (2001), 23-33, database is CAplus.

Novel functional cyanine/merocyanine dyes were synthesized using versatile reactivity of nucleophilic reagents, ketenedithioacetals and 4-methylthiomaleimides. Quantum chem. calculations based on the MO method were carried out for light absorption anal. of these dyes. Also, absorption spectra of photochromic spirooxazine compounds showing absorptions in the longer wavelength region were theor. analyzed aiming at the mol. design of new photochromic compounds

Nagasaki-ken Kogyo Gijutsu Senta Kenkyu Hokoku 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 C14H10O4, Product Details of C12H14IN.

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

Miller, Joseph published the artcileThe S_N mechanism in aromatic compounds. XXII. The activating power of para CHO and CN groups, SDS of cas: 101420-79-5, the publication is Journal of the American Chemical Society (1957), 93-5, database is CAplus.

cf. C.A. 51,264g. The rate constants (k₂ × 10⁵ l./mole sec.) for the reactions of a number of 4-substituted 1-iodo-2-nitrobenzenes (I) with NaN₃ (both 0.05M) in MeOH were determined at various temperatures (substituent of I, rate constants at the indicated temperature in parentheses, and activation energy in kcal. given): H, 93.2, 98.2 (131.6°), 335 (150.0°), 570 (155.5°), 693 (157.5°), 1050 (166.1°), 24.7; CHO (m. 141°), 16.7, 17.0 (52.4), 62.1, 62.8 (64.0°), 390, 396, 400 (82.4°), 24.25; CN (m. 133.5°), 15.3 (44.95°), 25.9 (49.85°), 118, 119 (66.0°), 757 (86.1°), 774 (96.2°), 21.5; NO₂, 19.0 (20.05°), 90.6, 92.0 (35.25°), 226 (44.25°), 856, 889 (59.3°), 18.95. The same data were determined for the reaction of I with KSCN in MeOH: Ac, 21.5, 22.2 (110.6°), 89.6 (131.3°), 91.6 (131.4°), 137, 140 (137.8°), 21.3; CHO, 23.3 (100.4°), 25.0 (100.5°), 558, 564 (110.7°), 236 (131.4°), 240 (131.6°), 21.85; CN, 9.48, 10.2 (82.0°), 28.6, 39.0 (100.3°), 357 (131.2°), 392 (131.6°), 21.2; NO₂, 13.1, 13.3 (60.2°), 83.5, 84.9 (81.9°), 330,332 (100.0°), 20.05.

Journal of the American Chemical Society published new progress about 101420-79-5. 101420-79-5 belongs to iodides-buliding-blocks, auxiliary class Nitrile,Nitro Compound,Iodide,Benzene,Benzene Compounds, name is 4-Iodo-3-nitrobenzonitrile, and the molecular formula is C7H3IN2O2, SDS of cas: 101420-79-5.

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

Chen, Xiuli published the artcileNovel mitochondria-targeted and fluorescent DNA alkylation agents with highly selective activity against cancer cells, Quality Control of 606-55-3, the publication is Dyes and Pigments (2019), 107610, database is CAplus.

A series of novel nitrogen mustard-based fluorescent compounds were reported with good mitochondrial targeting ability and DNA alkylation activity. The results indicated that these compounds can be used directly as reporting and imaging agents for gel electrophoresis and flow cytometry without the necessity of addnl. fluorescent tagging agents. Notably, the compound CXL92 displayed highly selective activity against lung cancer cell line A549 with an IC₅₀ value of 0.32 μM compared to normal cell (LO2).

Dyes and Pigments 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

Milovanovic, Vesna published the artcileStructural characterization of benzoyl-1H-pyrazole derivatives obtained in lemon juice medium: Experimental and theoretical approach, HPLC of Formula: 39115-95-2, the publication is Journal of Molecular Structure (2019), 85-94, database is CAplus.

Simple, one-pot and low-cost reactions of acetylacetone with a variety of substituted benzoyl hydrazides in lemon juice, as eco-friendly medium, were performed. In reactions of benzoyl hydrazides with electron-donating groups on Ph ring, the 1-benzoyl-1H-pyrazole derivatives were obtained in short reaction time and in good to high yields. On the other hand, benzoyl hydrazides with electron-withdrawing groups reacted slower, yielding the mixture of 1-benzoyl-5-hydroxy-4,5-dihydro-1H-pyrazole and benzoyl-1H-pyrazole derivatives It is worth pointing out that two products, (2-chlorophenyl)(4,5-dihydro-5-hydroxy-3,5-dimethylpyrazol-1-yl)methanone and (4-iodophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone were reported for the first time. All obtained compounds were characterized using IR, UV-Vis and NMR, exptl. and theor., as well as with m.ps. Good agreement between exptl. and simulated IR, UV-Vis, ¹H and ¹³C NMR spectra was achieved. In addition, crystal structures and Hirshfeld surfaces anal. of (4,5-dihydro-5-hydroxy-3,5-dimethylpyrazol-1-yl)(4-iodophenyl)methanone were reported.

Journal of Molecular Structure 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, HPLC of Formula: 39115-95-2.

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

Milovanovic, Vesna M. published the artcileGreen synthesis of benzamide-dioxoisoindoline derivatives and assessment of their radical scavenging activity – Experimental and theoretical approach, Application of 4-Iodobenzohydrazide, the publication is Tetrahedron (2020), 76(38), 131456, database is CAplus.

A series of benzamide-dioxoisoindoline derivatives I (Ar = Ph, 4-HOC₆H₄, 4-IC₆H₄, etc.) was obtained, starting from phthalic anhydride and different benzoyl hydrazides, by ultrasound irradiation in water as solvent and without any catalyst. Five obtained compounds have been reported in this study for the first time and crystal structure of compound I (3,4,5-MeOC₆H₂) was determined All compounds were subjected to exptl. determination of their antioxidative potential. DPPH test revealed that newly synthesized phenolic compounds I (Ar = 2,3-HOC₆H₃, 3,4-HOC₆H₃, 3,4,5-HOC₆H₂) are the best antioxidants. Addnl., probable radical scavenging pathway was analyzed for reactions of the most active compounds and some radicals that can be found in living cells.

Tetrahedron 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, Application of 4-Iodobenzohydrazide.

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

dos Santos Filho, Jose Mauricio published the artcileStereoselective, solvent free, highly efficient synthesis of aldo- and keto-N-acylhydrazones applying grindstone chemistry, Name: 4-Iodobenzohydrazide, the publication is Green Chemistry (2017), 19(9), 2212-2224, database is CAplus.

A mild and efficient synthesis of N-acylhydrazones, e.g., I has been developed by applying a simple grindstone procedure leading to a library of 51 examples exhibiting a broad variety of structural features, 21 of them described for the first time in this paper. This methodol. works without any organic solvent under the catalysis of acetic acid at room temperature, promotes the formation of essentially pure crude products, and avoids tedious work-up and the use of harmful solvents, as well as energy consumption. In addition, it leads to the stereoselective formation of N-acylhydrazones, as supported by NMR anal.

Green 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, Name: 4-Iodobenzohydrazide.

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

Arsen’ev, V. G. published the artcileAcetals and vinyl ethers of unsaturated aldehydes and ketones in new syntheses of heterocyclic compounds: IX. Ethoxyvinyl-1,3-dioxinyl cations: synthesis and reactions with nucleophiles, Name: 1-Ethyl-2-methylquinolin-1-ium iodide, the publication is Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) (1998), 34(12), 1779-1785, database is CAplus.

A new highly reactive ethoxyvinylphenyldioxinyl perchlorate salt I · ClO₄^– was prepared by reaction of dioxinylium perchlorate II · ClO₄^– with excess tri-Et orthoformate in the presence of 16% perchloric acid. The reaction of I · ClO₄^– with electron-rich aromatic and heteroaromatic substrates result in formation of the corresponding aryl(hetaryl)vinyldioxinylium derivatives III · ClO₄^– [R = 4-Me₂NC₆H₄, 2,4-(AcO)₂-1-naphthyl, 2-methyl-3-indolyl]; with compounds possessing an activated methylene group, 1,3-dioxinylidene merocyanines and trimethinecyanines such as IV are formed, and with amines or amides, iminium derivs such as V. Merocyanines such as VI with a chiral center were synthesized for the first time from chiral racemic ethoxyvinyldioxinyl cations.

Russian Journal of Organic Chemistry (Translation of Zhurnal Organicheskoi Khimii) 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

Watanabe, Hiroyuki published the artcileSynthesis and biological evaluation of radioiodinated 2,5-diphenyl-1,3,4-oxadiazoles for detecting β-amyloid plaques in the brain, Recommanded Product: 4-Iodobenzohydrazide, the publication is Bioorganic & Medicinal Chemistry (2009), 17(17), 6402-6406, database is CAplus and MEDLINE.

This paper describes the synthesis and biol. evaluation of a new series of 2,5-diphenyl-1,3,4-oxadiazole (1,3,4-DPOD) derivatives for detecting β-amyloid plaques in Alzheimer’s brains. The affinity for β-amyloid plaques was assessed by an in vitro binding assay using pre-formed synthetic Aβ42 aggregates. The new series of 1,3,4-DPOD derivatives showed affinity for Aβ42 aggregates with K _i values ranging from 20 to 349 nM. The 1,3,4-DPOD derivatives clearly stained β-amyloid plaques in an animal model of Alzheimer’s disease, reflecting the affinity for Aβ42 aggregates in vitro. Compared to 3,5-diphenyl-1,2,4-oxadiazole (1,2,4-DPOD) derivatives, they displayed good penetration of and fast washout from the brain in biodistribution experiments using normal mice. The novel radioiodinated 1,3,4-DPOD derivatives may be useful probes for detecting β-amyloid plaques in the Alzheimer’s brain.

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 C28H41N7O4, Recommanded Product: 4-Iodobenzohydrazide.

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

Katane, Masumi published the artcileIdentification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro, Related Products of iodides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2013), 56(5), 1894-1907, database is CAplus and MEDLINE.

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO.

Journal of Medicinal Chemistry published new progress about 145343-76-6. 145343-76-6 belongs to iodides-buliding-blocks, auxiliary class Chloride,Iodide,Carboxylic acid,Benzene, name is 2-Chloro-4-iodobenzoic acid, and the molecular formula is C7H4ClIO2, Related Products of iodides-buliding-blocks.

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

Jorge, Salomao Doria published the artcileLigand-based design, synthesis, and experimental evaluation of novel benzofuroxan derivatives as anti-Trypanosoma cruzi agents, Computed Properties of 39115-95-2, the publication is European Journal of Medicinal Chemistry (2013), 200-214, database is CAplus and MEDLINE.

A set of substituted [N’-(benzofuroxan-5-yl)methylene]benzohydrazides (I; R¹ = H, Me, NH₂, CF₃, etc.; R² = H, Cl, CF₃; R³ = H, Cl), previously designed and synthesized, was exptl. assayed against Trypanosoma cruzi, the etiol. agent of Chagas’ disease, one of the most neglected tropical diseases. Exploratory data anal., Hansch approach and VolSurf formalism were applied to aid the ligand-based design of novel anti-T. cruzi agents. The best 2D-QSAR model showed suitable statistical measures [n = 18; s = 0.11; F = 42.19; R² = 0.90 and Q² = 0.77 (SDEP = 0.15)], and according to the optimum 3D-QSAR model [R² = 0.98, Q² = 0.93 (SDEP = 0.08)], three latent variables explained 62% of the total variance from original data. Steric and hydrophobic properties were pointed out as the key for biol. activity. Based upon the findings, six novel benzofuroxan derivatives I (R¹ = Pr, Me₂CH, Me₃C, Bu, OPr, OBu; R² = R³ H) were designed, synthesized, and in vitro assayed to perform the QSAR external prediction. Then, the predictability for the both models, 2D-QSAR (R_pred² = 0.91) and 3D-QSAR (R_pred² = 0.77), was exptl. validated, and compound I (R¹ = Pr; R² = R³ = H) was identified as the most active anti-T. cruzi hit (IC₅₀ = 3.04 μM).

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, Computed Properties of 39115-95-2.

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