ER 27319 maleate - ≥99% , CAS No.1204480-26-1

CAS: 1204480-26-1 Cat. No.: E288610 Molecular Weight: 396.44

GRADE & PURITY ≥99%

Synonyms

10-(3-Aminopropyl)-3,4-dimethyl-9(10H)-acridinone maleate

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

10-(3-Aminopropyl)-3, 4-dimethyl-9(10H)-acridinone maleate

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Selective inhibitor of Syk kinase. Inhibits tyrosine phosphorylation of Syk initiated by the engagement of FcεRI in rat and human mast cells. Results in the abrogation of degranulation, TNF-αproduction (IC50= 10μM) and other related signaling events.

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C.C(=CC(=O)O)C(=O)O
• IUPAC Name: 10-(3-aminopropyl)-3,4-dimethylacridin-9-one;(Z)-but-2-enedioic acid
• InChIKey: WVUQPGFRFBVJKH-BTJKTKAUSA-N
• INCHI: 1S/C18H20N2O.C4H4O4/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21;5-3(6)1-2-4(7)8/h3-4,6-9H,5,10-11,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• Isomeric SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C.C(=C\C(=O)O)\C(=O)O
• Molecular Weight: 396.44
• Reaxy-Rn: 35447577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35447577&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Hydroquinolines Unsaturated fatty acids Pyridines and derivatives Dicarboxylic acids and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Acridone - Dihydroquinolone - Dihydroquinoline - Dicarboxylic acid or derivatives - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Carbonyl group - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 29.71, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 39.62, Max Conc. mM: 100
• Molecular Weight: 396.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 396.169 Da
• Monoisotopic Mass: 396.169 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 502.000
• 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: 2

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