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

Visão geral

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

Especificações e pureza

≥98%

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.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528763810
• Sorrisos canónicos: 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)
• SMILES isoméricas: 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
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: 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

Referências

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]