35007-02-4

Upstream product

• 109-65-9 1-bromo-butane 
• 106-94-5 propyl bromide 
• 71-23-8 propan-1-ol 
• 99-05-8 meta-aminobenzoic acid 
• 59265-70-2 propyl 3-nitrobenzoate 

Downstream Products

• 1437326-17-4 C₁₉H₁₈N₄O₅ 
• 1437325-89-7 C₁₀H₁₁N₃O₂ 
• 1437325-82-0 propyl 3-(4-(2-aminobenzoyl)-1H-1,2,3-triazol-1-yl)benzoate 
• 58055-28-0 3-(3-Methyl-ureido)-benzoic acid propyl ester 
• 59265-87-1 3-n-Propoxycarbonylphenylisocyanat 

Relevant academic research and scientific papers

Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome

Here we employed structure-based ligand discovery techniques to explore a recently determined crystal structure of the 5-hydroxytryptamine 2B (5-HT2B) receptor. Ten compounds containing a novel chemical scaffold were identified; among them, seven molecules were active in cellular function assays with the most potent one exhibiting an IC50 value of 27.3 nM. We then systematically probed the binding characteristics of this scaffold by designing, synthesizing, and testing a series of structural modifications. The structure-activity relationship studies strongly support our predicted binding model. The binding profiling across a panel of 11 5-HT receptors indicated that these compounds are highly selective for the 5-HT2B receptor. Oral administration of compound 15 (30 mg/kg) produced significant attenuation of visceral hypersensitivity in a rat model of irritable bowel syndrome (IBS). We expect this novel scaffold will serve as the foundation for the development of 5-HT2B antagonists for the treatment of IBS.

Competitive homolytic and heterolytic decomposition pathways of gas-phase negative ions generated from aminobenzoate esters

An alkyl-radical loss and an alkene loss are two competitive fragmentation pathways that deprotonated aminobenzoate esters undergo upon activation under mass spectrometric conditions. For the meta and para isomers, the alkyl-radical loss by a homolytic cleavage of the alkyl-oxygen bond of the ester moiety is the predominant fragmentation pathway, while the contribution from the alkene elimination by a heterolytic pathway is less significant. In contrast, owing to a pronounced charge-mediated ortho effect, the alkene loss becomes the predominant pathway for the ortho isomers of ethyl and higher esters. Results from isotope-labeled compounds confirmed that the alkene loss proceeds by a specific γ-hydrogen transfer mechanism that resembles the McLafferty rearrangement for radical cations. Even for the para compounds, if the alkoxide moiety bears structural motifs required for the elimination of a more stable alkene molecule, the heterolytic pathway becomes the predominant pathway. For example, in the spectrum of deprotonated 2-phenylethyl 4-aminobenzoate, m/z 136 peak is the base peak because the alkene eliminated is styrene. Owing to the fact that all deprotonated aminobenzoate esters, irrespective of the size of the alkoxy group, upon activation fragment to form an m/z 135 ion, aminobenzoate esters in mixtures can be quantified by precursor ion discovery mass spectrometric experiments.

Thermosensitive recording material and novel color developer compounds

Disclosed is a thermosensitive recording material comprising a sheet-shaped support and a thermosensitive recording layer which is formed on at least one surface of the support and comprises a colorless or light-colored dye precursor and a color developer capable of reacting with the dye precursor and inducing color formation therein upon application of heat thereto, the color developer comprising a compound represented by the following formula (I) or analog thereof:: The thermosensitive recording material has high sensitivity and can prevent white background portions from coloring and recorded images from decolorizing in an environmental resistance test.