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

CAS: 372085-49-9 Cat. No.: W423670 Formule: C₂₄H₃₃N₅O₂S Poids moléculaire: 455.62 PubChem CID: 1898018

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

PDE4 inhibitor

Specifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

• ALogP: 4.087
• Nombre de HBD: 1
• Liaison rotative: 7

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCCN5CCOCC5
• PubChem CID: 1898018
• Poids moléculaire: 455.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10