68269-83-0

Basic information

• Product Name: 3-AMINO-N,N-DIETHYLBENZAMIDE
• Synonyms: 3-AMINO-N,N-DIETHYLBENZAMIDE
• CAS NO: 68269-83-0
• Molecular Formula: C₁₁H₁₆N₂O
• Molecular Weight: 192.26
• Mol File: 68269-83-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 372 °C at 760 mmHg
• Flash Point: 178.8 °C
• Appearance: /
• Density: 1.068 g/cm³
• Vapor Pressure: 9.91E-06mmHg at 25°C
• Refractive Index: 1.559
• PKA: 3.75±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-N,N-DIETHYLBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-N,N-DIETHYLBENZAMIDE(68269-83-0)
• EPA Substance Registry System: 3-AMINO-N,N-DIETHYLBENZAMIDE(68269-83-0)

Safety Data

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 68269-83-0(Hazardous Substances Data)

Usage

Uses

3-Amino-N,N-diethylbenzamide is a useful pharmaceutical intermediate. It also functions as a reagent used in organic synthesis and other chemical processes.

InChI:InChI=1/C11H16N2O/c1-3-13(4-2)11(14)9-6-5-7-10(12)8-9/h5-8H,3-4,12H2,1-2H3

Upstream product

• 111331-82-9 3-[(tert-butoxycarbonyl)amino]benzoic acid 
• 99-05-8 meta-aminobenzoic acid 

Downstream Products

• 209902-27-2 3-[N-(1-benzyl-piperidin-3-yl)-amino]-N,N-diethyl benzamide 
• 209902-15-8 3-[N-(1-benzyl-piperidin-4-yl)-amino]-N,N-diethyl benzamide 
• 682756-29-2 N-[3-[(diethylamino)carbonyl]phenyl]-1-(1,1-dimethylethyl)-4-ethyl-1H-pyrazole-3-carboxamide 
• 935698-27-4 N-(3-Diethylcarbamoyl-phenyl)-2-methoxy-5-nitro-benzamide 
• 935698-16-1 N-(3-Diethylcarbamoyl-phenyl)-2-hydroxy-5-nitro-benzamide 
• 27958-97-0 3-(N,N-diethylamino-methyl)-aniline 

Relevant articles and documents

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.