PDE10-IN-2 , CAS No.1516895-53-6

CAS: 1516895-53-6 Cat. No.: P1442915 PubChem CID: 72709059

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

PDE10-IN-2 is a PDE10 inhibitor with an IC 50 ≦0.01 μM.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1=CN=C(C2=NC(=NN12)C3CC3C4=C(N5C=CC6=C(C5=N4)C=CC=N6)C)C
• IUPAC Name: 2-[(1R,2R)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]-3-methylimidazo[2,1-f][1,6]naphthyridine
• InChIKey: ZLHNYULRKIEGAY-HZPDHXFCSA-N
• INCHI: 1S/C21H19N7/c1-11-10-23-12(2)20-25-19(26-28(11)20)16-9-15(16)18-13(3)27-8-6-17-14(21(27)24-18)5-4-7-22-17/h4-8,10,15-16H,9H2,1-3H3/t15-,16-/m1/s1
• Isomeric SMILES: CC1=CN=C(C2=NC(=NN12)[C@@H]3C[C@H]3C4=C(N5C=CC6=C(C5=N4)C=CC=N6)C)C
• PubChem CID: 72709059

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Triazolopyrazines Imidazo[1,2-a]pyridines Pyridines and derivatives Pyrazines N-substituted imidazoles Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Imidazo[1,2-a]pyridine - Triazolopyrazine - Pyridine - Pyrazine - N-substituted imidazole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y