1084328-28-8

Basic information

• Product Name: C₁₅H₁₅N₃O₅S
• Synonyms: C₁₅H₁₅N₃O₅S
• CAS NO: 1084328-28-8
• Molecular Weight: 349.367
• Mol File: 1084328-28-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₅H₁₅N₃O₅S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₅H₁₅N₃O₅S(1084328-28-8)
• EPA Substance Registry System: C₁₅H₁₅N₃O₅S(1084328-28-8)

Safety Data

• Hazardous Substances Data: 1084328-28-8(Hazardous Substances Data)

Upstream product

• 55326-07-3 1,3,6-trimethyl-5-nitrouracil 
• 5398-77-6 para-methanesulfonylbenzaldehyde 

Relevant articles and documents

1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: Design, synthesis, structure-affinity and structure-selectivity relationships

A number of 1,3-dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines were prepared and evaluated as ligands of recombinant human adenosine receptors (hARs). Several 1,3-dipropyl derivatives endowed with nanomolar binding affinity at hA2B receptors, but poor selectivity over hA2A, hA1 and hA3 AR subtypes were identified. A comparison with the corresponding 7-OH- and 7,9-unsubstituted-deazaxanthines revealed that 9-OH-9-deazaxanthines are more potent hA2B ligands with lower partition coefficients and higher water solubility compared to the other two congeneric classes of deazaxanthines. An optimization of the para-substituent of the 8-phenyl ring of 9-OH-9-deazaxanthines led to the discovery of compound 38, which exhibited outstanding hA2B affinity (Ki = 1.0 nM), good selectivity over hA2A, hA1 and hA3 (selectivity indices = 100, 79 and 1290, respectively) and excellent antagonist potency in a functional assay on rat A2B (pA2B = 9.33).