Month: December 2022

Rao, Chinthalapally V. published the artcileAnti-inflammatory Drugs Decrease the PD-L1 Expression and Increase the CD8⁺ T-Cell Infiltration, Synthetic Route of 169590-42-5, the publication is Cancer Prevention Research (2022), 15(4), 209-211, database is CAplus and MEDLINE.

In this issue of Cancer Prevention Research, Cecil and colleagues show that nonsteroidal anti-inflammatory drugs (NSAID), celecoxib and naproxen, decrease the expression of programmed death-ligand 1 (PD-L1) and increase the influx of Type I tumor-infiltrating lymphocytes in colonic tumors. Importantly, both decrease of PD-L1 expression and increase of CD8+ T cells were associated with the inhibition of COX-2/PGE2 pathway in vitro and syngeneic colonic tumor xenograft models. This study clearly suggests that NSAIDs regulate the intratumoral immunity multiple ways, including suppression of expression of immune checkpoint blockade. Thus, NSAIDs should be considered as chemopreventive for patients with PD-L1-pos. colonic polyp.

Cancer Prevention Research published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C17H14F3N3O2S, Synthetic Route of 169590-42-5.

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

Perlovich, German L. published the artcilePrediction of solubility of two-component molecular crystals, SDS of cas: 1453-82-3, the publication is CrystEngComm (2022), 24(12), 2217-2220, database is CAplus.

An approach which allows one to estimate the solubility of two-component mol. crystals in various solvents at different temperatures with an accuracy of 68% (an average absolute % deviation) without any information on their melting temperatures and enthalpies was proposed. The approach is based only on the information about the individual compounds in the co-crystal/salt: (a) melting temperatures and enthalpies and (b) activity coefficients in the investigated solvents at a given temperature

CrystEngComm published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, SDS of cas: 1453-82-3.

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

Ohishi, Mitsuru published the artcileSacubitril/valsartan-A new weapon for fighting the hypertension paradox, HPLC of Formula: 137862-53-4, the publication is Hypertension Research (2022), 45(5), 915-916, database is CAplus and MEDLINE.

The estimated prevalence of hypertension in Japan is 43 million. However, when good blood pressure (BP) control is defined as <140/90 mmHg, only 12 million patients have achieved the targeted BP. Thus, 27% of individuals with hypertension have achieved satisfactory BP control. The guidelines for the management of hypertension by the Japanese Society of Hypertension (JSH2019) recommended that the antihypertensive target should be <130/80 mmHg, except in older individuals (≥75 years); individuals with cerebrovascular disease, with bilateral carotid artery stenosis or occlusion of the main cerebral artery; or individuals with chronic kidney disease without proteinuria. In the excluded groups, excessive antihypertensive treatments may increase adverse drug effects. Studies have shown that 21.6% of all patients with hypertension have achieved a BP <130/80 mmHg, and the control rate is lower among younger individuals. Sacubitril/valsartan is a new type of antihypertensive drug combination that contains a 1:1 molar ratio of the angiotensin receptor blocker valsartan and the neprilysin inhibitor sacubitril. A recent phase III study assessed the efficacy and safety of sacubitril/valsartan vs. olmesartan in Japanese patients with mild-to-moderate essential hypertension. Strict BP control without giving up will make it possible to extend our healthy life expectancy by preventing stroke and cardiovascular diseases.

Hypertension Research published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, HPLC of Formula: 137862-53-4.

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

Oeberg, Tomas published the artcileA QSAR for Baseline Toxicity: Validation, Domain of Application, and Prediction, Synthetic Route of 2447-79-2, the publication is Chemical Research in Toxicology (2004), 17(12), 1630-1637, database is CAplus and MEDLINE.

The interest in modeling and application of structure-activity relationships has steadily increased in recent decades. It is generally acknowledged that these empirical relationships are valid only within the same domain for which they were developed. However, model validation is sometimes neglected, and the application domain is not always well-defined. The purpose of this paper is to outline how validation and domain definition can facilitate the modeling and prediction of baseline toxicity for a large database. A large number of theor. descriptors (867) were generated from two-dimensional mol. structures for compounds present in the U.S. EPA’s Fathead Minnow Database (611) and the Syracuse Research Corporation’s PhysProp Database (25,000+). A quant. structure-activity relationship model was developed for baseline toxicity (narcosis) toward the fathead minnow (Pimephales promelas) using a projection-based regression technique, PLSR (partial least squares regression). The PLSR model was subsequently validated with an external test set. The main factors of variation were related to size/shape and polar interactions. The prediction error was comparable to, or slightly better than, the ECOSAR procedures. A set of 16 805 compounds, drawn from the PhysProp Database, was projected onto the PLSR model. More than 90% (15 597) of the compounds fall within the valid model domain, defined by the residual standard deviation and the leverage. The predicted baseline toxicity indicates an acute hazard for two-thirds of these compounds, classes I-III in the OECD Globally Harmonized Classification System (LC₅₀ ≤100 mg L^-1). Finally, the mode of action assigned in the U.S. EPA Fathead Minnow Database was investigated. Reclassification to narcosis as the mode of action is suggested for 92 compounds, mostly from the groups “unsure” and “mixed”. The present classification into specific modes of action seems to be further strengthened by the findings in this investigation.

Chemical Research in Toxicology published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Synthetic Route of 2447-79-2.

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

O’Callaghan, C. N. published the artcileReaction of ethyl cyanoacetate with 2-iminochromene derivatives, Name: 2-Cyano-N-ethylacetamide, the publication is Proceedings of the Royal Irish Academy, Section B: Biological, Geological and Chemical Science (1977), 77B(19-47), 533-8, database is CAplus.

The carbamoyliminochromones I (R = H, 8-MeO, 8-EtO, 6-Cl) condensed with EtO₂CCH₂CN to give the benzopyranopyridines II. The coumarins III was also formed by a competing reaction.

Proceedings of the Royal Irish Academy, Section B: Biological, Geological and Chemical Science published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Name: 2-Cyano-N-ethylacetamide.

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

Nobuaki, Miyahara published the artcileLTB4 and Allergies, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea, the publication is Arerugi, Men’eki (2018), 25(3), 362-370, database is CAplus.

A review. Mouth leukotriene B₄ (LTB₄) is a bioactive lipid derived from arachidonic acid. Since the identification of the high-affinity receptor BLT1 and the low-affinity receptor BLT2 of LTB₄, their involvement in various allergic diseases has been elucidated. LTB₄-BLT1 pathway has been suggested to be involved in bronchial apol., especially in severe acute infarct steroid-resistant apnea, and in atopic dermatitis, allergic rhinitis, conjunctivitis, etc : LTB₄-BLT1 regulation of the pathway is expected as a new bureaucracy for allergic diseases.

Arerugi, Men’eki published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C12H23N3S, Recommanded Product: [(2-Hexylcyclopentylidene)amino]thiourea.

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

Nair, G. Vijayakumaran published the artcileTert-butyl and tert-amyl isothiocyanates as novel reagents for the preparation of 1-substituted thiocarbamide derivatives, Recommanded Product: Morpholine-4-carbothioamide, the publication is Indian Journal of Chemistry (1966), 4(12), 516-20, database is CAplus.

cf. Neville and McGee, CA 59: 8715f. tert-Butyl (I) and tert-amyl isothiocyanates (II) on treating with amino compounds, aliphatic and aromatic primary and secondary amines, heterocyclic primary amines and imines and cyclic amines, in which the amino group is part of the ring system, afforded the related tertiary alkyl thiocarbamide derivatives [TABLE OMITTED] I was prepared as follows: A mixture of 27.4 g. NH4CNS, 10 g. ZnCl2, 27.8 g. tert-BuCl, and 100 ml. H2O was shaken 96 hrs. at intervals. The upper organic layer was separated, washed with H2O, dried and shaken 1 hr. with 5 g. powd. anhydrous ZnCl2 for 96 hrs. The decanted liquid was washed with H2O and dried with CaCl2 to yield 29.5 g. I, which was used directly for condensation. II was similarly prepared using tert-AmCl. Molar quantities of aliphatic primary and secondary amines and I reacted rapidly at room temperature in petroleum ether solution giving quant. yields of the desired tertiary alkyl thiocarbamide derivatives Aromatic primary and secondary amines, heterocyclic amines, and mono- and diarylguanidines, however, reacted only when the reactants were heated 1.5-5 hrs. in C6H6 solution II also reacted similarly. These derivatives were easily and quant. heterolyzed by treating with concentrated HCl at 90-95° for 2-30 min. to the corresponding thiocarbamides and tertiary alkyl chloride. 1-Substituted-3-tert-butylthiocarbamides (III) prepared are listed in the first table. 1-Substituted-3-tert-amylthiocarbamides (IV) prepared by the reaction of II and amines are listed in the 2nd table. (Ts stands for thiosemicarbazide). [TABLE OMITTED] The reaction of I with N2H4.H2O for 30 min. yielded 90% 4-tert-butylthiosemicarbazide (V), m. 143° (dilute EtOH). Similar reaction with PhNHNH2 yielded 91% 2-phenyl-4-tert-butylthiosemicarbazide (VI), m. 177° (absolute EtOH). Heterolysis of V and VI yielded H2NNHCSNH2, m. 180°, and PhNHNHCSNH2, m. 201°, in 67 and 94% resp. This procedure provides a novel and economic method of wider applicability for the preparation of 1-substituted thiocarbamides.

Indian Journal of Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Recommanded Product: Morpholine-4-carbothioamide.

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

Misner, Jerry W. published the artcileAn improved method for the decyanation of N,N-disubstituted cyanamides, Synthetic Route of 2451-91-4, the publication is Journal of Organic Chemistry (1987), 52(14), 3166-8, database is CAplus.

The cleavage of N,N-disubstituted cyanamides, e.g. the ergoline I (R = cyano), to secondary amines, e.g. I (R = H), is effected rapidly and in high yields with NaOH or KOH in ethylene glycol at temperature greater than 120°. The products can usually be isolated easily as either the free amines or as their salts so long as they are reasonably hydrophobic. This procedure is an excellent alternative to other methods, especially with acid sensitive substrates.

Journal of Organic Chemistry published new progress about 2451-91-4. 2451-91-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Benzene, name is N,N-Dibenzylcyanamide, and the molecular formula is C15H14N2, Synthetic Route of 2451-91-4.

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

Masaret, Ghada S. published the artcileSynthesis, Docking and Antihypertensive Activity of Pyridone Derivatives, Recommanded Product: 2-Cyano-N-ethylacetamide, the publication is ChemistrySelect (2020), 5(44), 13995-14003, database is CAplus.

A substituted 4-((5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl)benzene-sulfonamides were picked up via coupling of aromatic Diazonium salt for sulfonamide derivatives on 3-cyano-6-hydroxyl-2-pyridone derivative The produced derivatives were exposed to mol. docking to predict their antihypertensive activity toward protein databank identification number (PDB ID 6JP5) complexed with an amino acids consequent from the human Voltage-dependent L-type calcium channel (LCC) alpha-1S subunit. The docking studies outcomes endorsed to utilize these analogs in vivo antihypertensive effectiveness treatise. The Mean systolic blood pressure (SBP) of hypertensive rats injected by Dihydropyridine derivatives (DHPD) were evaluated in comparable with nifedipine that utilized as standard drug. Moreover, the vasorelaxant effectiveness of the synthesized derivatives were examined against the contraction induced by noradrenaline (0.1 mM, NA) on aorta rat rings.

ChemistrySelect published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Recommanded Product: 2-Cyano-N-ethylacetamide.

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

Lieber, Charles M. published the artcileProbing polymer-induced reactivity effects in modified electrode/catalyst systems, Quality Control of 530-40-5, the publication is Journal of the Electrochemical Society (1986), 133(11), 442C-444C, database is CAplus.

To elucidate reactivity effects in modified electrode systems, the substitution kinetics of Ru(NH₃)₅(H₂O)²⁺ with substituted pyridines was selected: Ru(NH₃)₅(H₂O)²⁺ + R-Py → Ru(NH₃)₅(R-Py)²⁺ + H₂O; R-Py = pyridine derivatives: isonicotinamide, pyridine, 3-chloropyridine, or N,N-diethylisonicotinamide. A pyrolytic graphite electrode was modified with Nafion solutions to give in most cases a film thickness of ∼0.4 μm. Cyclic voltammograms were recorded and the kinetics and mechanistic implications were discussed. These results indicate that Nafion-modified electrodes may be utilized to effect chem. transformations that are quite different from those found in homogeneous solution

Journal of the Electrochemical Society published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, Quality Control of 530-40-5.

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