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

CAS: 1189767-28-9 Cat. No.: B412142 분자식: C₁₆H₁₇N₅O₂ 분자량: 311.34 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Phosphodiesterase 9A inhibitor

순수함

≥99%

제품 특성

• ALogP: 0.421
• hba_count: 5
• HBD 수: 1
• 회전 가능한 결합: 3

이름과 식별자

• Pubchem Sid: 488203011
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203011
• 정식 스마일: 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)
• 이성체 SMILES: C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
• 분자량: 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
    • 분류 Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: 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) 최대 용해도: 62
• DMSO(mM) 최대 용해도: 199.13920472795
• 물(mg/mL) 최대 용해도: ˂1
• 분자량: 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