38802-18-5

Upstream product

• 42444-51-9 3,5-dinitrobenzoyl azide 
• 108-24-7 acetic anhydride 
• 618-87-1 3, 5-dinitroaniline 
• 64-19-7 acetic acid 
• 7664-93-9 sulfuric acid 
• 99-33-2 3,5-dinitrobenoyl chloride 
• 75-36-5 acetyl chloride 
• 59776-60-2 1-isocyanato-3,5-dinitrobenzene 
• 99-35-4 1,3,5-trinitrobenzene 
• 28712-12-1 1-acetyl-3-methyl-1H-imidazol-3-ium chloride 

Downstream Products

• 21985-87-5 2,3,4,5,6-pentanitroaniline 1,2-dichloroethane 
• 42380-21-2 N-(3-amino-5-nitrophenyl)acetamide 
• 54338-36-2 N-methyl-m,m-dinitroacetanilide 
• 54338-38-4 N-(3,5-dinitrophenyl)-N-ethylacetamide 
• 54338-39-5 3',5'-dinitro-N-n-propylacetanilide 
• 367970-09-0 C₇₂H₇₉N₃O₁₃Si₄ 
• 455253-00-6 C₂₀H₁₄N₁₀O₁₁ 
• 455253-01-7 2-[3,5-bis(3,5-dioxo-2,3,4,5-tetrahydro-6-carboxy-1,2,4-triazin-2-yl)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-carbonitrile 
• 455252-97-8 ({[3-acetylamino-5-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenyl]-hydrazono}-cyano-acetyl)-carbamic acid ethyl ester 
• 455253-04-0 2-{3-[N'-(1-cyano-2-ethoxycarbonylamino-2-oxo-ethylidene)-hydrazino]-5-nitro-phenyl}-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid 
• 455252-98-9 3,5-bis(3,5-dioxo-2,3,4,5-tetrahydro-6-cyano-1,2,4-triazin-2-yl)acetanilide 
• 455252-94-5 {2-[(3-Acetylamino-5-nitro-phenyl)-hydrazono]-2-cyano-acetyl}-carbamic acid ethyl ester 
• 455252-95-6 2-(3-acetamino-5-nitrophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-carbonitrile 
• 455252-96-7 2-(3-acetamino-5-aminophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-carbonitrile 

Relevant academic research and scientific papers

Starazo triple switches - synthesis of unsymmetrical 1,3,5-tris(arylazo)benzenes

Multistate switches allow to drastically increase the information storage capacity and complexity of smart materials. In this context, unsymmetrical 1,3,5-tris(arylazo)benzenes - 'starazos' - which merge three photoswitches on one benzene ring, were succe

PRODRUGS FOR NITROREDUCTASE BASED CANCER THERAPY- 2: Novel amide/Ntr combinations targeting PC3 cancer cells

The use of nitroreductases (NTR) that catalyze the reduction of nitro compounds by using NAD(P)H in GDEPT (Gene-directed enzyme prodrug therapy) studies which minimize toxicity at healthy cells and increases concentration of drugs at cancer cells is remarkable. Discovery of new prodrug/NTR combinations is necessary to be an alternative to known prodrug candidates such as CB1954, SN23862, PR-104A. For this aim, nitro containing aromatic amides (A1-A23) were designed, synthesized, performed in silico ADMET and molecular docking techniques in this study. Prodrug candidates were studied on reduction potentials with Ssap-NtrB by HPLC system. Also, cyototoxic properties and prodrug ability of these amides were investigated using different cancer cell lines such as Hep3B and PC3. As a result of theoretical and biological studies, combinations of A5, A6 and A20 with Ssap-NtrB can be suggested as potential prodrugs/enzyme combinations at NTR based cancer therapy compared with CB1954/NfsB.

BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS

Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

Fragmentation of Protonated N-(3-Aminophenyl)Benzamide and Its Derivatives in Gas Phase

An ion of m/z 110.06036 (ion formula [C6H8NO]+; error: 0.32 mDa) was observed in the collision induced dissociation tandem mass spectrometry experiments of protonated N-(3-aminophenyl)benzamide, which is a rearrangement product ion purportedly through nitrogen-oxygen (N–O) exchange. The N–O exchange rearrangement was confirmed by the MS/MS spectrum of protonated N-(3-aminophenyl)-O18-benzamide, where the rearranged ion, [C6H8NO18]+ of m/z 112 was available because of the presence of O18. Theoretical calculations using Density Functional Theory (DFT) at B3LYP/6-31?g(d) level suggest that an ion-neutral complex containing a water molecule and a nitrilium ion was formed via a transition state (TS-1), followed by the water molecule migrating to the anilide ring, eventually leading to the formation of the rearranged ion of m/z 110. The rearrangement can be generalized to other protonated amide compounds with electron-donating groups at the meta position, such as, –OH, –CH3, –OCH3, –NH(CH3)2, –NH-Ph, and –NHCOCH3, all of which show the corresponding rearranged ions in MS/MS spectra. However, the protonated amide compounds containing electron-withdrawing groups, including –Cl, –Br, –CN, –NO2, and –CF3, at the meta position did not display this type of rearrangement during dissociation. Additionally, effects of various acyl groups on the rearrangement were investigated. It was found that the rearrangement can be enhanced by substitution on the ring of the benzoyl with electron-withdrawing groups. [Figure not available: see fulltext.]

POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS

Disclosed herein are compounds that are inhibitors of BRD4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BRD4 are also disclosed. In certain aspects, disclosed are compounds of Formula I-IV.

Amide conformational switching induced by protonation of aromatic substituent

(Matrix presented) Introduction of an electron-withdrawing group on the aromatic ring of N-methylacetanilide decreased the ratio of the cis conformer, and the ratio correlates well with the Hammett σ values of the substituents. These steric properties can be applied to achieve amide conformational swiching by protonation at the aromatic substituent of 4-[bis(dimethylamino)]-N-methylacetanilide or N-[p-(dimethylamino)phenyl]-N-phenylacetamide.

Synthesis of some symmetrically substituted compounds derived from 1,3-bis(6-azauracil-1-yl)benzene and 1,3,5-tris(6-azauracil-1-yl)benzene [1]

The 3,5-bis(5 -carboxy-6-azauracil-1-yl)aniline (7) and 1,3,5-tris(5-carboxy-6-azauracil-l-yl)benzene (10) were prepared from 3-amino-5-nitroacetanilide (1) via intermediates 2-6. A series of other substituted 6-azauracil derivatives 9, 11-14 were also pr

Heterocycles in organic materials chemistry. Synthesis of di-, tri-, and tetraimide polycarboxylic acids for use in organic network assembly

Seven linear divalent monomers, three bent divalent amide-containing monomers, 11 bent divalent ester-containing monomers, one planar trivalent monomer, and two tetrahedral tetravalent monomers were prepared by imide-forming condensation of the appropriat

MECHANISM OF THE REACTION OF ACETYL HALIDES WITH AROMATIC AMINES IN THE PRESENCE OF N-SUBSTITUTED IMIDAZOLES

The effect of the structure of aromatic amines and the nature of the leaving group in N-acetylimidazolium chlorides in reactions leading to the formation of amides in methylene chloride at 25 deg C was investigated.The possibility of stabilization of the transition state of the bimolecular reaction on account of general-base assistance on the part of the anion of the salt was demonstrated by analysis of the sensitivity of the bimolecular reaction of the acylimidazolium salt with aromatic amines to the nature of attacking and leaving groups.At the same time the mechanism of the trimolecular reaction of the salt with the arylamine does not fit into the scheme of the general-base catalysis by the anion and is interpreted by the inclusion of aggregates of N-acetylimidazolium halides in the transition state of trimolecular reaction.

Substituted 2H-pyran-2,6(3H)-dione derivatives

Substituted 2H-pyran-2,6(3H)-dione derivatives useful in the treatment of allergic conditions are prepared by reaction of 3,5-diacetyl-4,6-dihydroxy-2H-pyran-2-one with an appropriate aniline.