PDE8B-IN-1 is a selective inhibitor of phosphodiesterase 8B (PDE8B) with the activity of enhancing insulin secretion. PDE8B-IN-1 showed good efficacy in high-throughput screening and optimized its ligand efficiency through rapid deconstruction. PDE8B-IN-1 showed high target selectivity and good bioavailability in preclinical development, providing a basis for exploring its potential inhibitory use.
| Sonrisas canónicas | CC1=NC(=C2C(=N1)N(N=N2)CC3CN(CCO3)CC4=NC=CS4)N |
|---|---|
| IUPAC Name | 5-methyl-3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine |
| InChIKey | QGTJGTFOISKMAD-SNVBAGLBSA-N |
| INCHI | 1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1 |
| Isómeros SMILES | CC1=NC(=C2C(=N1)N(N=N2)C[C@H]3CN(CCO3)CC4=NC=CS4)N |
| PubChem CID | 52938764 |
| Peso molecular | 346.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Triazolopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyrimidines |
| Alternative Parents | Aralkylamines Aminopyrimidines and derivatives Morpholines Imidolactams Triazoles Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triazolopyrimidine - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Thiazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
