WAY-641015 - ≥95% , CAS No.851175-95-6

CAS: 851175-95-6 Cat. No.: W418414 Formula: C₁₆H₁₅N₃O₂ Peso molecolare: 281.3092 Numero EC: 857-747-8 PubChem CID: 2535053

GRADE & PURITY ≥95%

Synonyms

1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | AKOS000118470 | STL229633 | 6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | 1-isopropyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | MFCD06373470

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

antienteroviral activity; inhibitors of EZH2/EZH1; inhibitor of BasE; acetyl CoA carboxylase (ACC) inhibitor;

Specifications

Sinonimi

1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | AKOS000118470 | STL229633 | 6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | 1-isopropyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid | MFCD06373470

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Proprietà del prodotto

ALogP

3.031

Legame rotabile

3

Nomi e identificatori

Pubchem Sid

488192139

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192139

Sorrisi canonici

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O

IUPAC Name

6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

InChIKey

FVWHXCPGGVRTCS-UHFFFAOYSA-N

INCHI

1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)

Isomeri SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O

PubChem CID

2535053

Peso molecolare

281.3092

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyridinecarboxylic acids Pyrazolopyridines Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10
• Peso molecolare: 281.310 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 281.116 Da
• Monoisotopic Mass: 281.116 Da
• Topological Polar Surface Area: 68.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 382.000
• 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