WAY-324075 - 10mM in DMSO , CAS No.372085-49-9

CAS: 372085-49-9 Cat. No.: W423670 Molecular Weight: 455.62 PubChem CID: 1898018

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

PDE4 inhibitor

Specifications

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: 4.087
• HBD Count: 1
• Rotatable Bond: 7

Names and Identifiers

• Canonical Smiles: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• IUPAC Name: 8-butyl-4,4-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
• InChIKey: CVGYBYVAZWGVQN-UHFFFAOYSA-N
• INCHI: 1S/C24H33N5O2S/c1-4-5-6-18-17-14-31-24(2,3)13-16(17)19-20-21(32-23(19)28-18)22(27-15-26-20)25-7-8-29-9-11-30-12-10-29/h15H,4-14H2,1-3H3,(H,25,26,27)
• Isomeric SMILES: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• PubChem CID: 1898018
• Molecular Weight: 455.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Thienopyrimidines Thienopyridines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Morpholines Imidolactams Thiophenes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Thienopyrimidine - Thienopyridine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Morpholine - Oxazinane - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
• 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

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10