PF-00489791 - Moligand™, ≥98% , Phosphodiesterase 5A inhibitor, CAS No.853003-48-2, Phosphodiesterase 5A inhibitor

CAS: 853003-48-2 Cat. No.: P612719 Formule: C₂₀H₂₈N₈O₄S Poids moléculaire: 476.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-(2-Ethoxyethyl)-5-(ethyl(methyl)amino)-7-((4-methylpyridin-2-yl)amino)-N-(methylsulfonyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

PF-00489791 is a long-acting PDE5 inhibitor with hypotensive activity for the study of diabetic nephropathy.

Specifications

Synonymes

1-(2-Ethoxyethyl)-5-(ethyl(methyl)amino)-7-((4-methylpyridin-2-yl)amino)-N-(methylsulfonyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Mécanisme d'action

Phosphodiesterase 5A inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

1.6

Noms et identifiants

Pubchem Sid

528766589

Sourires canoniques

CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C

IUPAC Name

1-(2-ethoxyethyl)-5-(ethyl-methylamino)-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[5,4-e]pyrimidine-3-carboxamide

InChIKey

ZUHZNKJIJDAJFD-UHFFFAOYSA-N

INCHI

1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)

Isomères SMILES

CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC

Poids moléculaire

476.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyrimidines
• Alternative Parents: Pyrimidinecarboxamides Pyrazole-5-carboxamides Dialkylarylamines Methylpyridines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidinecarboxamide - Pyrazolopyrimidine - Dialkylarylamine - Pyrazole-5-carboxamide - Aminopyridine - Aminopyrimidine - Methylpyridine - Pyridine - Imidolactam - Pyrimidine - Azole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
• 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

Cibles associées (humaines)

PDE5A Tclin cGMP-specific 3',5'-cyclic phosphodiesterase (2 Activities)

Discover Target: PDE5A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 476.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 476.195 Da
• Monoisotopic Mass: 476.195 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 751.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1