RS 8359 - Moligand™,≥97% , CAS No.105365-76-2

CAS: 105365-76-2 Cat. No.: R647150 Formule: C₁₄H₁₂N₄O Poids moléculaire: 252.27 PubChem CID: 164116

GRADE & PURITY Moligand™, ≥97%

Synonyms

HY-14260 | 4-(7-HYDROXY-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO) BENZONITRILE | Benzonitrile, 4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- | 4-[(7-hydroxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile | 79U9T1HIX9

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Vue d’ensemble

RS 8359 is a selective and reversible MAO-A inhibitor, with antidepressant activity.

Specifications

Synonymes

HY-14260 | 4-(7-HYDROXY-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YLAMINO) BENZONITRILE | Benzonitrile, 4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- | 4-[(7-hydroxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile | 79U9T1HIX9

Spécifications et pureté

Moligand™,≥97%

Mécanismes biochimiques et physiologiques

RS 8359 is a selective and reversible MAO-A inhibitor, with antidepressant activity.

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

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

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N
• IUPAC Name: 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile
• InChIKey: YKTSVZRWKHWINV-UHFFFAOYSA-N
• INCHI: 1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)
• Isomères SMILES: C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N
• CAS alternatif: 119670-32-5,105365-76-2
• PubChem CID: 164116
• Termes d'entrée MeSH: 4-(4-cyanophenyl)amino-6,7-dihydro-7-hydroxy-5H-cyclopenta(d)pyrimidine;RS 8359;RS-8359
• Poids moléculaire: 252.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary alcohols Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aniline or substituted anilines - Benzonitrile - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

• Solubilité: DMSO : 50 mg/mL (198.20 mM; ultrasonic and warming and heat to 80°C)
• Sensibilité: light sensitive; air sensitive
• Poids moléculaire: 252.270 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 252.101 Da
• Monoisotopic Mass: 252.101 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1