quadazocine - Moligand™ , Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor, CAS No.71276-43-2, Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor

CAS: 71276-43-2 Cat. No.: Q613047 PubChem CID: 115077

GRADE & PURITY Moligand™

Synonyms

GTPL1633 | Q7268283 | 1-Cyclopentyl-5-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)pentan-3-one | DTXSID30990187 | Quadazocine | (-)-quadazocine | 1-cyclopentyl-5-[(1S,9R)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.

Storage

Room temperature

Specifications

Synonyms

GTPL1633 | Q7268283 | 1-Cyclopentyl-5-(8-hydroxy-3, 6, 11-trimethyl-1, 2, 3, 4, 5, 6-hexahydro-2, 6-methano-3-benzazocin-11-yl)pentan-3-one | DTXSID30990187 | Quadazocine | (-)-quadazocine | 1-cyclopentyl-5-[(1S, 9R)-4-hydroxy-1, 10, 13-trimethyl-10-azatricyclo[7.3.

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor

Names and Identifiers

• Canonical Smiles: O=C(CCC1(C)[C@H]2Cc3c([C@]1(C)CCN2C)cc(cc3)O)CCC1CCCC1
• InChIKey: LOYWOYCPSWPKFH-CSIQULDISA-N
• INCHI: 1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3/t23-,24+,25?/m1/s1
• Isomeric SMILES: C[C@@]12CCN([C@@H](C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C
• PubChem CID: 115077

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class 6,7-benzomorphans
      • Subclass 2,6-dimethyl-3-benzazocines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: 6,7-benzomorphans
• Subclass: 2,6-dimethyl-3-benzazocines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,6-dimethyl-3-benzazocines
• Alternative Parents: 4-hydroxy-6,7-benzomorphans Benzazocines Tetralins Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperidines Trialkylamines Ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,6-dimethyl-3-benzazocine - 4-hydroxy-6,7-benzomorphan - Benzazocine - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Piperidine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,6-dimethyl-3-benzazocines. These are aromatic compounds containing a 6,7-benzomorphan skeleton, which is substituted by methyl group at the 2- and 6-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

Associated Targets(Human)

OPRD1 Tclin Delta-type opioid receptor (1 Activities)

Discover Target: OPRD1

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

OPRK1 Tclin Kappa-type opioid receptor (1 Activities)

Discover Target: OPRK1

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

OPRM1 Tclin Mu-type opioid receptor (1 Activities)

Discover Target: OPRM1

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