1-Cyclopropyl-3-propyl-8-(6-(N-nicotinoyl-N-ethylamino)-3-pyridyl)xanthine-
Names and Identifiers of 1000005-71-9
CAS Number |
1000005-71-9 |
|---|---|
IUPAC Name |
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-ethylpyridine-3-carboxamide |
InChI |
InChI=1S/C24H25N7O3/c1-3-12-30-21-19(23(33)31(24(30)34)17-8-9-17)27-20(28-21)15-7-10-18(26-14-15)29(4-2)22(32)16-6-5-11-25-13-16/h5-7,10-11,13-14,17H,3-4,8-9,12H2,1-2H3,(H,27,28) |
InChIKey |
WULKGVCEOREGQF-UHFFFAOYSA-N |
Canonical SMILES |
CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)N(CC)C(=O)C5=CN=CC=C5 |
UNII |
J2D30271R2 |
Physical and chemical properties of 1000005-71-9
Exact Mass |
459.20200 |
|---|---|
LogP |
2.75490 |
Molecular Formula |
C24H25N7O3 |
Molecular Weight |
459.50000 |
PSA |
118.77000 |
Applications of 1000005-71-9
ATL-801 is primarily investigated for its role in treating inflammatory conditions such as colitis. Its ability to selectively inhibit the A2B receptor opens avenues for therapeutic interventions in diseases characterized by excessive inflammation and immune dysregulation. Additionally, ongoing research may explore its utility in other conditions where adenosine signaling plays a critical role.
Interaction Studies of 1000005-71-9
Interaction studies of ATL-801 have focused on its binding affinity and selectivity for the A2B receptor compared to other adenosine receptors (A1, A2A, and A3). These studies typically employ radiolabeled ligands or competitive binding assays to determine the potency and specificity of ATL-801. Understanding these interactions is crucial for predicting potential side effects and therapeutic efficacy.
Biological Activity of 1000005-71-9
ATL-801 exhibits significant biological activity as an A2B receptor antagonist. In animal models, administration of ATL-801 has been shown to ameliorate symptoms of induced colitis, indicating its potential to mitigate inflammatory responses. The compound's mechanism of action involves blocking adenosine's effects on immune cells, which can lead to reduced cytokine release and improved tissue integrity during inflammatory episodes.