AGL-2263 - Moligand™, ≥98% , CAS No.638213-98-6

CAS: 638213-98-6 Cat. No.: A650157 Formula: C₁₇H₁₀N₂O₅ Peso molecolare: 322.27 PubChem CID: 9818584

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

(E)-2-(3,4-Dihydroxybenzoyl)-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)acrylonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

AGL-2263 is an insulin receptor and insulin-like growth factor (IGF) receptor inhibitor

Specifiche

Sinonimi

(E)-2-(3,4-Dihydroxybenzoyl)-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)acrylonitrile

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

AGL-2263 is an insulin receptor and insulin-like growth factor (IGF) receptor inhibitor.

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.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1=CC2=C(C=C1C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O)NC(=O)O2

IUPAC Name

(E)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)prop-2-enenitrile

InChIKey

IUGRBTCJEYEDIY-VZUCSPMQSA-N

INCHI

1S/C17H10N2O5/c18-8-11(16(22)10-2-3-13(20)14(21)7-10)5-9-1-4-15-12(6-9)19-17(23)24-15/h1-7,20-21H,(H,19,23)/b11-5+

Isomeri SMILES

C1=CC2=C(C=C1/C=C(\C#N)/C(=O)C3=CC(=C(C=C3)O)O)NC(=O)O2

PubChem CID

9818584

Termini MeSH

AGL 2263;AGL-2263;AGL2263

Peso molecolare

322.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Cinnamic acids and derivatives Benzoxazolones Aryl ketones Benzoyl derivatives Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Oxazoles Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Retrochalcone - Cinnamic acid or derivatives - Benzoxazolone - Benzoxazole - Benzoyl - Catechol - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Heteroaromatic compound - Acryloyl-group - Enone - Oxazole - Azole - Alpha,beta-unsaturated ketone - Ketone - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 100 mg/mL (310.30 mM; Need ultrasonic)
• Peso molecolare: 322.270 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 322.059 Da
• Monoisotopic Mass: 322.059 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 607.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1