ER-000444793 - ≥98% , CAS No.792957-74-5

CAS: 792957-74-5 Cat. No.: E413401 Formule: C₂₃H₁₈N₂O₂ Poids moléculaire: 354.4

GRADE & PURITY ≥98%

Synonyms

4-​Quinolinecarboxamide​,1,​2-​dihydro-​2-​oxo-​N-​[2-​(phenylmethyl)​phenyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

ER-000444793 ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening with IC50 of 2.8 μM.

Targets

mPTP (Cell-free assay) 2.8 μM

Specifications

Synonymes

4-​Quinolinecarboxamide​,1,​2-​dihydro-​2-​oxo-​N-​[2-​(phenylmethyl)​phenyl]​-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening with IC50 of 2.8 μM.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504760765
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760765
• Sourires canoniques: C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43
• IUPAC Name: N-(2-benzylphenyl)-2-oxo-1H-quinoline-4-carboxamide
• InChIKey: OIZPRRGJIHYZAY-UHFFFAOYSA-N
• INCHI: 1S/C23H18N2O2/c26-22-15-19(18-11-5-7-13-21(18)24-22)23(27)25-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,26)(H,25,27)
• Isomères SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43
• Poids moléculaire: 354.4
• Reaxy-Rn: 30379898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30379898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Quinoline carboxamides Diphenylmethanes Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Pyridinones Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Diphenylmethane - Quinoline-4-carboxamide - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid or derivatives - Pyridinone - Pyridine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 71 mg/mL (200.33 mM); Water: Insoluble; Ethanol: Insoluble
• Poids moléculaire: 354.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 354.137 Da
• Monoisotopic Mass: 354.137 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 579.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 792957-74-5, the molecular formula is C23H18N2O2, and the molecular weight is 354.4 g/mol. InChIKey OIZPRRGJIHYZAY-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.