345951-21-5

Basic information

• Product Name: 3-(4-ethoxyphenyl)-5-(4-methylphenyl)-1',3',4,6-tetraoxo-1,3,3a,4,6,6a-hexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-indane)
• Synonyms: 3-(4-ethoxyphenyl)-5-(4-methylphenyl)-1',3',4,6-tetraoxo-1,3,3a,4,6,6a-hexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-indane)
• CAS NO: 345951-21-5
• Molecular Formula: C29H23NO6
• Molecular Weight: 481.49602
• Mol File: 345951-21-5.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-(4-ethoxyphenyl)-5-(4-methylphenyl)-1',3',4,6-tetraoxo-1,3,3a,4,6,6a-hexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-indane)(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-ethoxyphenyl)-5-(4-methylphenyl)-1',3',4,6-tetraoxo-1,3,3a,4,6,6a-hexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-indane)(345951-21-5)
• EPA Substance Registry System: 3-(4-ethoxyphenyl)-5-(4-methylphenyl)-1',3',4,6-tetraoxo-1,3,3a,4,6,6a-hexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-indane)(345951-21-5)

Safety Data

• Hazardous Substances Data: 345951-21-5(Hazardous Substances Data)

Upstream product

• 1631-28-3 N-p-tolylphenylmaleimide 
• 10031-82-0 4-ethoxybenzaldehyde 
• 1807-49-4 2-diazo-indan-1,3-dione 
• 606-23-5 1H-indene-1,3(2H)-dione 
• 106-49-0 p-toluidine 
• 37904-03-3 3-p-tolylcarbamoyl-acrylic acid 

Relevant articles and documents

The discovery, design and synthesis of potent agonists of adenylyl cyclase type 2 by virtual screening combining biological evaluation

Adenylate cyclases (ACs), play a critical role in the conversion of adenosine triphosphate (ATP) into the second messenger cyclic adenosine monophosphate (cAMP). Studies have indicated that adenylyl cyclase type 2 (AC2) is potential drug target for many diseases, however, up to now, there is no AC2-selective agonist reported. In this research, docking-based virtual screening with the combination of cell-based biological assays have been performed for discovering novel potent and selective AC2 agonists. Virtual screening disclosed a novel hit compound 8 as an AC2 agonist with EC50 value of 8.10 μM on recombinant human hAC2 + HEK293 cells. The SAR (structure activity relationship) based on the derivatives of compound 8 was further explored on recombinant AC2 cells and compound 73 was found to be the most active agonist with the EC50 of 90 nM, which is 160-fold more potent than the reported agonist Forskolin and could selectively activate AC2 to inhibit the expression of Interleukin-6. The discovery of a new class of AC2-selective agonists would provide a novel chemical probe to study the physiological function of AC2.