citibrasine - Moligand™ , Inhibitor of cathepsin V, CAS No.86680-34-4, Inhibitor of cathepsin V

CAS: 86680-34-4 Cat. No.: C608574 PubChem CID: 19093029

GRADE & PURITY Moligand™

Synonyms

DTXSID401192210 | SCHEMBL9352197 | 1,5-Dihydroxy-2,3,4-trimethoxy-10-methyl-9(10H)-acridinone | 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one | 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one | Q27076083 | Citbrasine | 1,5-Dihyd

Storage

Room temperature

Specifications

Synonyms

DTXSID401192210 | SCHEMBL9352197 | 1, 5-Dihydroxy-2, 3, 4-trimethoxy-10-methyl-9(10H)-acridinone | 1, 5-dihydroxy-2, 3, 4-trimethoxy-10-methyl-9, 10-dihydroacridin-9-one | 1, 5-dihydroxy-2, 3, 4-trimethoxy-10-methylacridin-9-one | Q27076083 | Citbrasine | 1, 5-Dihyd

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cathepsin V

Names and Identifiers

• Canonical Smiles: COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1
• IUPAC Name: 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
• InChIKey: QYPQTPVQPNLXHV-UHFFFAOYSA-N
• INCHI: 1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
• Isomeric SMILES: CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
• PubChem CID: 19093029

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: 8-hydroxyquinolines Hydroquinolones Hydroquinolines Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Vinylogous amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - 8-hydroxyquinoline - Dihydroquinoline - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - 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)

CTSV Tchem Cathepsin L2 (2 Activities)

Discover Target: CTSV

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

Mechanisms of Action