Tag: M.W=100-150

Tchapla, A. published the artcileConformational study of long chains in solution. Generality of a coiling phenomenon in carbon chains having at least 9 atoms, Product Details of C3H12Cl2N2, the publication is Tetrahedron (1982), 38(14), 2147-55, database is CAplus.

The conformations of R₂N⁺R¹(CH₂)_nN⁺R¹R₂ (R, R¹ = H, Me, n = 2-14, 18) were studied using ¦¤pK, ¹³C spin lattice relaxation times (T₁), and ¹H chem. shift-concentration relations. These constants varied at n = 2-9; at n = 9-18 ¦¤pK were constant and T₁ were similar. These observations are explained by a conformational anal. and a correlation between the average conformation in solution and the effect of these diammonium salts on DNA is discussed. The results are interpreted in terms of electrostatic interactions and torsional hydrophobic energies for the ionic bifunctional compounds At n = 2-5 the chain length is maximal; for n = 5-9 length is not maximal but steadily increasing. At n = 9-18 the distance between the 2 ionized ends is approx. constant and the conformation of the chain is coiled.

Tetrahedron published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C25H23NO4, Product Details of C3H12Cl2N2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Long published the artcileDiscovery of a potent dual EGFR/HER-2 inhibitor L-2 (selatinib) for the treatment of cancer, Computed Properties of 6950-53-4, the publication is European Journal of Medicinal Chemistry (2013), 833-841, database is CAplus and MEDLINE.

To develop potent dual EGFR/HER-2 inhibitors with improved druggability, a series of new lapatinib analogs were designed and synthesized. Compared with lapatinib, L-2, 6-(5-((2-(Sulfamoyl)ethylamino)methyl)furan-2-yl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl) quinazolin-4-amine (L-4) and 1-(4-((5-(4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino) quinazolin-6-yl)furan-2-yl)methyl)piperazin-1-yl)ethanone (M-6) were more active against BT-474 or NCI-N87 cells. In vivo efficacy studies indicated that L-2 significantly suppressed tumor growth in NCI-N87 (94.8% inhibition) or SK-OV-3 xenograft (85.7% inhibition) without causing significant loss of body weight And the inhibition rates of lapatinib in the two xenograft models were 89.7% and 78.8%, resp. Moreover, further studies revealed that the potent in vivo activities of L-2 may be mainly attributed to its superior aqueous solubility and oral bioavailability. In addition, a high-yielding one-pot procedure was developed for the synthesis of lapatinib and its analogs.

European Journal of Medicinal Chemistry published new progress about 6950-53-4. 6950-53-4 belongs to catalysis-chemistry, auxiliary class Salt,sulfides,Amine,Aliphatic hydrocarbon chain, name is 2-(Methylthio)ethanamine hydrochloride, and the molecular formula is C13H19Br2ClN2O, Computed Properties of 6950-53-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Aly, Ashraf A. published the artcileTetracyanoethene and 1-Amino-1,2,2-ethenetricarbonitrile in the Synthesis of Heterocycles of Prospective Antioxidant and Antibacterial, Computed Properties of 6972-05-0, the publication is Journal of Heterocyclic Chemistry (2016), 53(3), 963-969, database is CAplus.

Reaction of 1,1,2,2-ethenetetracarbonitrile (TCNE) with aroyl thioureas in dioxane catalyzed by few drops of piperidine, led to the corresponding 1,2,4-oxathiazoles. Under the same reaction condition, thiosemicarbazide or thiosemicarbazone reacted with either TCNE or 1-amino-1,2,2-ethene-tricarbonitrile. The structures of the products were elucidated via NMR, IR, mass spectra, and elemental analyses. The mechanism of formation was discussed. Biol. (against Gram-pos. and Gram-neg. bacteria) and antioxidant activities were tested. Some of these heterocyclic compounds showed high activity as antioxidant and antibacterial compounds The structure-activity relationship was investigated.

Journal of Heterocyclic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Computed Properties of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Steinmetz, Fabian P. published the artcileMethods for assigning confidence to toxicity data with multiple values – Identifying experimental outliers, Category: catalysis-chemistry, the publication is Science of the Total Environment (2014), 358-365, database is CAplus and MEDLINE.

The assessment of data quality is a crucial element in many disciplines such as predictive toxicol. and risk assessment. Currently, the reliability of toxicity data is assessed on the basis of testing information alone (adherence to Good Laboratory Practice (GLP), detailed testing protocols, etc.). Common practice is to take one toxicity data point per compound – usually the one with the apparently highest reliability. All other toxicity data points (for the same experiment and compound) from other sources are neglected. To show the benefits of incorporating the “less reliable” data, a simple, independent, statistical approach to assess data quality and reliability on a math. basis was developed. A large data set of toxicity values to Aliivibrio fischeri was assessed. The data set contained 1813 data points for 1227 different compounds, including 203 identified as non-polar narcotic. Log K_OW values were calculated and non-polar narcosis quant. structure-activity relationship (QSAR) models were built. A statistical approach to data quality assessment, which is based on data outlier omission and confidence scoring, improved the linear QSARs. The results indicate that a beneficial method for using large data sets containing multiple data values per compound and highly variable study data has been developed. Furthermore this statistical approach can help to develop novel QSARs and support risk assessment by obtaining more reliable values for biol. endpoints.

Science of the Total Environment published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C2H2N4O2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Gozdowska, M. published the artcileSynthesis and in vitro anticancer activity of conjugates of MDP with amino-acridine/acridone derivatives, Recommanded Product: Propane-1,3-diamine dihydrochloride, the publication is Polish Journal of Chemistry (1997), 71(6), 767-773, database is CAplus.

A series of MDP (muramyl dipeptide) analogs modified at the C-terminus of MDP mol. by the formation of an amide bond between the carboxylic group of isoglutamine and the amine function of the resp. derivative of acridine or acridone were synthesized as potential anticancer agents.

Polish Journal of Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Recommanded Product: Propane-1,3-diamine dihydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Theilacker, W. published the artcilePreparation of O-alkylhydroxylamines, Safety of O-Isobutylhydroxylamine hydrochloride, the publication is Angewandte Chemie (1956), 303, database is CAplus.

cf. Truitt, et al., C.A. 42, 8174a. To a dried (CaCl₂) solution of 10 g. ClNH₂ (I) in 500 cc. Et₂O is added a solution of 6 g. Na in 250-300 cc. of the required alc. and the mixture is allowed to stand 24 hrs.; or to a solution of 6 g. Na in 250-300 cc. of dry alc. (diluted with 200 cc. dioxane if necessary) heated to 80¡ã is added with vigorous stirring over 90 min. a solution of 10 g. I in 600 cc. Et₂O in a manner such as to prevent contact of the Et₂O solution with the walls of the reaction flask. The Et₂O is allowed to distil through a packed column during the addition, and stirring is continued 15 min. more. In each case the reaction mixture is then filtered, the filtrate distilled, HCl gas passed into the distillate to precipitate NH₄Cl, the mixture filtered, the filtrate saturated with HCl, and the HCl salt separated by filtration or evaporation of the solvent. Sirupy products are dried in vacuo over P₂O₅ and purified by recrystallization or sublimation. The following O-alkyl hydroxylamines are reported (temperature of preparation, m.p. of HCl salt, % yield, and b.p. of the base, resp., given): Me (20¡ã, 149-50¡ã, 32, 50¡ã), Et (20¡ã, 125-6¡ã, 29, 69¡ã), Pr (20¡ã, 155-7¡ã 38, 90-1¡ã), iso-Pr (20¡ã, 94-5¡ã, 38, 79-80¡ã), Bu (20¡ã, 159-60¡ã, 46, 115¡ã), iso-Bu (20¡ã, 129-30¡ã, 37, 95-7¡ã), sec-Bu (80¡ã, 68-70¡ã, 34, 103-4¡ã), tert-Bu (80¡ã, 150¡ã, 26, 200-3¡ã), (CH₂)₇CH₃ (80¡ã, 81-2¡ã, 26, 189-92¡ã), sec-octyl, (80¡ã, 71-2¡ã, 26, 189-92¡ã), PhCH₂ (80¡ã, 225-30¡ã, 51, 212-15¡ã), and cyclohexyl (80¡ã, 175¡ã, 25, 171-2¡ã).

Angewandte Chemie published new progress about 6084-58-8. 6084-58-8 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is O-Isobutylhydroxylamine hydrochloride, and the molecular formula is C4H6N2, Safety of O-Isobutylhydroxylamine hydrochloride.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Ghazanfar, S. A. S. published the artcileRaman spectra of diamines and diammonium ions: effects of ionization on carbon-hydrogen stretching frequencies, Computed Properties of 10517-44-9, the publication is Journal of the American Chemical Society (1964), 86(4), 559-64, database is CAplus.

Raman spectra are reported for ethylenediamine, 1,3-propanediamine, 1,4- butanediamine, cadaverine, ethanolamine, and their hydrochlorides, and for malonic acid and its disodium salt, in aqueous solution All the amines except 1,4-butanediamine were also studied as pure liquids, and 1,3-propanediamine was also studied in D₂ODCl solution after nearly complete conversion of the NH₂ to ND₂ groups. When one of these diamines dissolves in water the C-H stretching frequencies near 2900 cm.^-1 generally increase by 1525 cm. ^-1 On addition of HCl, with the protonation of the amino groups, there is a further and considerably larger increase in these frequencies, by 35-70 cm. ^-1 above that of the basic amine in water solution This change is much less marked in ethanolamine, which contains only one amino group. It is relatively small in cadaverine, in which only two of the five methylene groups immediately adjoin amino groups. The upward displacement of the methylene C-H stretching frequencies when a neighboring amino group acquires a pos. charge is in accord with earlier observations on glycine, ¦Â-alanine, and cysteine. The methylene stretching frequencies of malonic acid are displaced downward by 20-25 cm. ^-1 when the two carboxyl groups lose their protons, although no such effect has been noted in chloroacetic acid when its carboxyl group ionizes. Complete deuteration of an NH₂ or NH₃⁺ group has almost no influence on the C-H frequencies of an adjoining methylene group; it is the state of charge of the amino group, not the mass of the attached atoms, that is important. The addition of 3M NaCl has no significant effect on the Raman spectrum of ethylenediamine in aqueous solution; therefore, the observed frequency shifts on protonation of the amino group are not dependent on the large increase in ionic strength that accompanies the addition of acid. The C-H deformation frequencies are, in general, little affected by ionization or deuteration of the amino group, although many frequencies <1400 cm.^-1 are of course greatly altered.

Journal of the American Chemical Society published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, Computed Properties of 10517-44-9.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Leeper, Alexandra published the artcileTorula yeast in the diet of Atlantic salmon Salmo salar and the impact on growth performance and gut microbiome, COA of Formula: C5H11NO2S, the publication is Scientific Reports (2022), 12(1), 567, database is CAplus and MEDLINE.

Atlantic salmon aquaculture is expanding, and with it, the need to find suitable replacements for conventional protein sources used in formulated feeds. Torula yeast (Cyberlindnera jadinii), has been identified as a promising alternative protein for feed and can be sustainably cultivated on lignocellulosic biomasses. The present study investigated the impact of torula yeast on the growth performance and gut microbiome of freshwater Atlantic salmon. A marine protein base diet and a mixed marine and plant protein base diet were tested, where conventional proteins were replaced with increasing inclusion levels of torula yeast, (0%, 10%, 20%). This study demonstrated that 20% torula yeast can replace fish meal without alteration to growth performance while leading to potential benefits for the gut microbiome by increasing the presence of bacteria pos. associated with the host. However, when torula yeast replaced plant meal in a mixed protein diet, results suggested that 10% inclusion of yeast produced the best growth performance results but at the 20% inclusion level of yeast, potentially neg. changes were observed in the gut microbial community, such as a decrease in lactic acid bacteria. This study supports the continued investigation of torula yeast for Atlantic salmon as a partial replacement for conventional proteins.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C5H11NO2S, COA of Formula: C5H11NO2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Pratt, John K. published the artcileInhibitors of HCV NS5B polymerase: synthesis and structure-activity relationships of N-1-heteroalkyl-4-hydroxyquinolon-3-yl-benzothiadiazines, Formula: C4H12ClNO, the publication is Bioorganic & Medicinal Chemistry Letters (2005), 15(6), 1577-1582, database is CAplus and MEDLINE.

N-1-Alkylamino and N-1-alkyloxy-4-hydroxyquinolon-3-yl benzothiadiazines were synthesized and evaluated as inhibitors of genotype 1 HCV polymerase. The N-1-alkyloxy derivatives were not potent inhibitors, however N-1-alkylamino derivatives displayed comparable potency to carbon analogs. Analogs with aliphatic substituents were significantly more potent than those with benzylic substituents against genotype 1a polymerase. The most potent inhibitors contained small alkyl or carbocyclic substituents and exhibited IC₅₀‘s of 50-100 and 200-400 nM against genotype 1b and 1a HCV polymerase, resp.

Bioorganic & Medicinal Chemistry Letters published new progress about 6084-58-8. 6084-58-8 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is O-Isobutylhydroxylamine hydrochloride, and the molecular formula is C4H12ClNO, Formula: C4H12ClNO.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Goldberg, Frederick W. published the artcileOptimization of Brain Penetrant 11¦Â-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet-Induced Obese Mice, Formula: C3H8N2S, the publication is Journal of Medicinal Chemistry (2014), 57(3), 970-986, database is CAplus and MEDLINE.

11¦Â-Hydroxysteroid dehydrogenase type 1 (11¦Â-HSD1) has been widely considered by the pharmaceutical industry as a target to treat metabolic syndrome in type II diabetics. We hypothesized that central nervous system (CNS) penetration might be required to see efficacy. Starting from a previously reported pyrimidine compound, we removed hydrogen-bond donors to yield I, which had modest CNS penetration. More significant progress was achieved by changing the core to give II, which combines good potency and CNS penetration. Compound II was dosed to diet-induced obese (DIO) mice and gave excellent target engagement in the liver and high free exposures of drug, both peripherally and in the CNS. However, no body weight reduction or effects on glucose or insulin were observed in this model. Similar data were obtained with a structurally diverse thiazole compound III. This work casts doubt on the hypothesis that localized tissue modulation of 11¦Â-HSD1 activity alleviates metabolic syndrome.

Journal of Medicinal Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Formula: C3H8N2S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia