BI-409306 - ≥99% , Phosphodiesterase 9A inhibitor, CAS No.1189767-28-9, Phosphodiesterase 9A inhibitor

CAS: 1189767-28-9 Cat. No.: B412142 Formule: C₁₆H₁₇N₅O₂ Poids moléculaire: 311.34 Numéro CE: 810-297-6

GRADE & PURITY ≥99%

Synonyms

O9OC34WOAY | 6-(Pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | UNII-O9OC34WOAY | AKOS040759436 | MS-24536 | Osoresnontrine [INN] | SCHEMBL7885817 | AC-36258 | BI-409306 | EX-A2733 | SUB 166499 | HY-112831

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

BI-409306 BI 409306 (SUB 166499) is a potent and selective inhibitor of human and rat PDE9A with mean IC50 of 65 nM and 168 nM, respectively. Treatment with BI 409306 increases brain cGMP levels, promotes long-term potentiation, and improves episodic and working memory performance in rodents.

Targets

human PDE9A (Cell-free assay); rat PDE9A (Cell-free assay) 65 nM; 168 nM

Specifications

Synonymes

O9OC34WOAY | 6-(Pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | UNII-O9OC34WOAY | AKOS040759436 | MS-24536 | Osoresnontrine [INN] | SCHEMBL7885817 | AC-36258 | BI-409306 | EX-A2733 | SUB 166499 | HY-112831

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

BI 409306 (SUB 166499) is a potent and selective inhibitor of human and rat PDE9A with mean IC50 of 65 nM and 168 nM, respectively. Treatment with BI 409306 increases brain cGMP levels, promotes long-term potentiation, and improves episodic and working me

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.

Type d'action

INHIBITOR

Mécanisme d'action

Phosphodiesterase 9A inhibitor

Pureté

≥99%

Propriétés du produit

• ALogP: 0.421
• hba_count: 5
• Nombre de HBD: 1
• Liaison rotative: 3

Noms et identifiants

• Pubchem Sid: 488203011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203011
• Sourires canoniques: C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
• IUPAC Name: 1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
• InChIKey: BZTIJCSHNVZMES-UHFFFAOYSA-N
• INCHI: 1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
• Isomères SMILES: C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
• Poids moléculaire: 311.34
• Reaxy-Rn: 19661491
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19661491&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrazolopyrimidines
• Subclass: Pyrazolo[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidines
• Alternative Parents: Pyrimidones Pyridines and derivatives Oxanes Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine - Pyrimidone - Pyrimidine - Pyridine - Oxane - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine 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

Cibles associées (humaines)

PDE9A Tchem High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (1 Activities)

Discover Target: PDE9A

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 62 mg/mL (199.13 mM); Ethanol: 4 mg/mL (12.84 mM); Water: ˂1 mg/mL
• DMSO (mg/mL) Solubilité maximale: 62
• DMSO (mM) Solubilité maximale: 199.13920472795
• Eau (mg/mL) Solubilité maximale: ˂1
• Poids moléculaire: 311.340 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 311.138 Da
• Monoisotopic Mass: 311.138 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 477.000
• 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