181873-33-6

Basic information

• Product Name: 7-Azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid, 3-bromo-, 7-(1,1-dimethylethyl) 2-methyl ester
• CAS NO: 181873-33-6
• Molecular Formula: C13H16BrNO4
• Molecular Weight: 330.178
• Mol File: 181873-33-6.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: 7-Azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid, 3-bromo-, 7-(1,1-dimethylethyl) 2-methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 7-Azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid, 3-bromo-, 7-(1,1-dimethylethyl) 2-methyl ester(181873-33-6)
• EPA Substance Registry System: 7-Azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid, 3-bromo-, 7-(1,1-dimethylethyl) 2-methyl ester(181873-33-6)

Safety Data

• Hazardous Substances Data: 181873-33-6(Hazardous Substances Data)

Upstream product

• 5176-27-2 N-tert-butyloxycarbonyl-pyrrole 
• 23680-40-2 methyl 3-bromopropiolate 

Relevant articles and documents

Discovery of aminocyclohexene analogues as selective and orally bioavailable hNav1.7 inhibitors for analgesia

hNav1.7 receives a lot of attention owing to its attractive mechanism of action in pain processing pathway. We have previously reported our design of a novel series of tetrahydropyridine analogues towards hNav1.7 selective inhibitors. Herein, we disclose further efforts to the optimization of hit compound (?)-6, which led to the identification of aminocyclohexene analogues (?)-9 and (?)-17 with good potency, high selectivity, and minimal CYP inhibition. Both compounds (?)-9 and (?)-17 demonstrated improved pharmacokinetic profiles in rats, and robust efficacy in rat formalin-induced nociception and spinal nerve ligation (SNL) models.

Substituted Imidazopyridines as HDM2 Inhibitors

The present invention provides substituted imidazopyridines as described herein or a pharmaceutically acceptable salt or solvate thereof. The representative compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and potential methods of treating cancer using the same.

QSAR studies and pharmacophore identification for arylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter

Data from a series of 29 monoamine transport inhibitors were used to generate 2D and 3D QSAR models for their binding affinity to the human dopamine transporter (hDAT). Among the inhibitors were many non-nitrogen containing compounds. The 2D QSAR analysis resulted in the equation -log Ki = 4.00 - 3.93ELUMO - 0.67EHOMO - 3.24σp, which predicted the importance of electron withdrawing groups in the aromatic moiety. However, the model failed to predict the observed poor binding of nitro-substituted compounds. In contrast, a derived 3D QSAR model was capable of predicting these more correctly.