CPDA - ≥98% , CAS No.1415834-63-7

CAS: 1415834-63-7 Cat. No.: N348467 Fórmula: C₂₀H₁₅ClF₂N₂O₂ Peso molecular: 388.8

GRADE & PURITY ≥98%

Synonyms

N-(4-((4-Chlorobenzyl)oxy)pyridin-2-yl)-2-(2,6-difluorophenyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

CPDA is a novel potent SH2 domain-containing inositol phosphatase 2 (SHIP2) inhibitor.

Specifications

Sinónimos

N-(4-((4-Chlorobenzyl)oxy)pyridin-2-yl)-2-(2,6-difluorophenyl)acetamide

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528763810
• Sonrisas canónicas: C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=CC(=C2)OCC3=CC=C(C=C3)Cl)F
• IUPAC Name: N-[4-[(4-chlorophenyl)methoxy]pyridin-2-yl]-2-(2,6-difluorophenyl)acetamide
• InChIKey: GISJHCLTIVIGLX-UHFFFAOYSA-N
• INCHI: 1S/C20H15ClF2N2O2/c21-14-6-4-13(5-7-14)12-27-15-8-9-24-19(10-15)25-20(26)11-16-17(22)2-1-3-18(16)23/h1-10H,11-12H2,(H,24,25,26)
• Isómeros SMILES: C1=CC(=C(C(=C1)F)CC(=O)NC2=NC=CC(=C2)OCC3=CC=C(C=C3)Cl)F
• Peso molecular: 388.8
• Reaxy-Rn: 23487640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23487640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: N-arylamides Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - N-arylamide - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL (128.60 mM)
• Peso molecular: 388.800 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 388.079 Da
• Monoisotopic Mass: 388.079 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 467.000
• 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

Referencias

1. Ruirui Zhang, Houyin Shi, Sifang Li, Hao Zhang, Dan Zhang, Ailing Wu, Chun Zhang, Chunhong Li, Xiujuan Fu, Siwei Chen, Jiaoyue Shi, Yang Tian, Sihan Wang, Yu Wang, Hao Liu.  (2023)  A double-layered gastric floating tablet for zero-order controlled release of dihydromyricetin: Design, development, and in vitro/in vivo evaluation.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:37028570] [10.1016/j.ijpharm.2023.122929]