ER-27319 - Moligand™ , Inhibitor of spleen associated tyrosine kinase, CAS No.E610167, Inhibitor of spleen associated tyrosine kinase

CAS: E610167 Cat. No.: E610167 PubChem CID: 9799509

GRADE & PURITY Moligand™

Synonyms

ER-27319 free base|UNII-5308DT8060|9(10H)-Acridinone, 10-(3-aminopropyl)-3,4-dimethyl-|5308DT8060|175281-16-0|CHEMBL2170739|GTPL9611|SCHEMBL8660539|CHEMBL1375018|CHEBI:92203|BDBM50396076|NCGC00161415-01|NCGC00161415-02|NCGC00161415-03|10-(3-aminopropyl)-3

Storage

Room temperature

Specifications

Synonyms

ER-27319 free base | UNII-5308DT8060 | 9(10H)-Acridinone, 10-(3-aminopropyl)-3, 4-dimethyl- | 5308DT8060 | 175281-16-0 | CHEMBL2170739 | GTPL9611 | SCHEMBL8660539 | CHEMBL1375018 | CHEBI:92203 | BDBM50396076 | NCGC00161415-01 | NCGC00161415-02 | NCGC00161415-03 | 10-(3-aminopropyl)-3

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of spleen associated tyrosine kinase

Names and Identifiers

• Canonical Smiles: NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2
• IUPAC Name: 10-(3-aminopropyl)-3,4-dimethylacridin-9-one
• InChIKey: CFPDEQBPNROZDC-UHFFFAOYSA-N
• INCHI: 1S/C18H20N2O/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21/h3-4,6-9H,5,10-11,19H2,1-2H3
• Isomeric SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C
• PubChem CID: 9799509

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 Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Dihydroquinoline - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

Associated Targets(Human)

SYK Tclin Tyrosine-protein kinase SYK (1 Activities)

Discover Target: SYK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 280.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 280.158 Da
• Monoisotopic Mass: 280.158 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 383.000
• 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