BI-409306 - 10mM in DMSO , Phosphodiesterase 9A inhibitor, CAS No.1189767-28-9, Phosphodiesterase 9A inhibitor

CAS: 1189767-28-9 Cat. No.: B420838 Molecular Weight: 311.34 EC Number: 810-297-6

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

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.

Action Type

INHIBITOR

Mechanism of action

Phosphodiesterase 9A inhibitor

Product Properties

• ALogP: 0.421
• hba_count: 5
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
• Molecular Weight: 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
    • Class Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 62
• DMSO(mM) Max Solubility: 199.13920472795
• Water(mg / mL) Max Solubility: ˂1
• Molecular Weight: 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