21801-83-2

Basic information

• Product Name: 2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide
• Synonyms: 2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide
• CAS NO: 21801-83-2
• Molecular Formula: C₁₅H₁₂ClN₃O
• Molecular Weight: 285.73
• Mol File: 21801-83-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.37g/cm³
• Refractive Index: 1.68
• PKA: 15.39±0.40(Predicted)
• CAS DataBase Reference: 2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide(21801-83-2)
• EPA Substance Registry System: 2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide(21801-83-2)

Safety Data

• Hazardous Substances Data: 21801-83-2(Hazardous Substances Data)

Usage

General Description

2-[8-(4-chlorophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl ]acetamide is a chemical compound with a complex molecular structure. It contains a heterocyclic ring system with a 4-chlorophenyl group attached. The compound also contains an acetamide functional group, which is a derivative of acetic acid. This chemical may have potential uses in pharmaceutical research and drug development, as the presence of the heterocyclic ring and phenyl group suggests possible biological activity. However, further research and testing would be necessary to determine its specific properties and potential applications.

InChI:InChI=1/C15H12ClN3O/c16-11-6-4-10(5-7-11)15-12(9-13(17)20)19-8-2-1-3-14(19)18-15/h1-8H,9H2,(H2,17,20)

Upstream product

• 151-50-8 potassium cyanide 
• 338415-39-7 1-(2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dimethylmethanamine 
• 38922-74-6 2-(4-chlorophenyl)imidazolo[1,2-a]pyridine 

Downstream Products

• 17745-06-1 [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid 
• 82622-54-6 2-(2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)-N,N-dimethylacetamide 

Relevant articles and documents

A structure-activity relationship study of the affinity of selected imidazo[1,2-a]pyridine derivatives, congeners of zolpidem, for the ω1-subtype of the benzodiazepine receptor

A series of 6-substituted 2-aryl-N,N-dimethylimidazol [1,2-a]pyridine-3-acetamides, congeners of zolpidem and alpidem, was synthesized and tested in vitro for binding with the benzodiazepine receptor in the competition with 3H-zolpidem as an ω1-selective radioligand. Molecular electrostatic potential (MEP) and the HOMO and LUMO energies were calculated for the compounds by semi-empirical quantum chemistry methods. The lipophilicity parameter of the compounds, expressed as the logarithm of the octanol-water partition coefficient (log P), was calculated; alternatively, standard values of the Hansch hydrophobic substituent constants π were used. In agreement with earlier investigations on the benzodiazepine receptor ligands with a high preference for the ω1-subtype, a quantitative correlation of the biological data with molecular parameters has revealed a significant dependence (r=0.954) of the binding affinity (IC50) on the deepest MEP minimum, in this case associated with the amide carbonyl oxygen atom. The lipophilicity parameters were found to be of lower significance.