WAY-608058 - ≥97% , CAS No.315697-76-8

CAS: 315697-76-8 Cat. No.: W417642 Fórmula: C₁₉H₁₉N₃O Peso molecular: 305.37 PubChem CID: 4051515

GRADE & PURITY ≥97%

Synonyms

7-(Pyridin-3-yl(pyrrolidin-1-yl)methyl)quinolin-8-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

inhibitors of sAPPβ and Aβ production

Specifications

Sinónimos

7-(Pyridin-3-yl(pyrrolidin-1-yl)methyl)quinolin-8-ol

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Propriedades do produto

ALogP

2.77

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

488194657

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194657

Sorrisos canónicos

C1CCN(C1)C(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

IUPAC Name

7-[pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol

InChIKey

OLNKPGCDXJMUOP-UHFFFAOYSA-N

INCHI

1S/C19H19N3O/c23-19-16(8-7-14-5-4-10-21-17(14)19)18(22-11-1-2-12-22)15-6-3-9-20-13-15/h3-10,13,18,23H,1-2,11-12H2

SMILES isoméricas

C1CCN(C1)C(C2=CN=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O

PubChem CID

4051515

Peso molecular

305.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Pyridine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Alvos associados (humanos)

MES-SA (905 Activities)

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MES-SA/Dx5 (643 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 305.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 305.153 Da
• Monoisotopic Mass: 305.153 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 385.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 315697-76-8, the molecular formula is C19H19N3O, and the molecular weight is 305.37 g/mol. InChIKey OLNKPGCDXJMUOP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.