(+)-S-14297 - Moligand™ , Antagonist of D 2 receptor;Antagonist of D 3 receptor, CAS No.157622-55-4, Antagonist of D 2 receptor;Antagonist of D 3 receptor

CAS: 157622-55-4 Cat. No.: S613353 PubChem CID: 115007

GRADE & PURITY Moligand™

Synonyms

(+)-N,N-Dipropyl-2,3,5,6,7,8-hexahydronaphtho(2,3-b)furan-7-amine | GTPL955 | S 11566 | N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine | BDBM50133937 | S-11566 | (+)S14297 | (+)-S-14297 | DTXSID60935743 | (+)-S 14297 | N,N-Dipropyl-2,3,5,

Storage

Room temperature

Specifications

Synonyms

(+)-N, N-Dipropyl-2, 3, 5, 6, 7, 8-hexahydronaphtho(2, 3-b)furan-7-amine | GTPL955 | S 11566 | N, N-dipropyl-2, 3, 5, 6, 7, 8-hexahydrobenzo[f][1]benzofuran-7-amine | BDBM50133937 | S-11566 | (+)S14297 | (+)-S-14297 | DTXSID60935743 | (+)-S 14297 | N, N-Dipropyl-2, 3, 5,

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of D 2 receptor;Antagonist of D 3 receptor

Names and Identifiers

• Canonical Smiles: CCCN(C1CCc2c(C1)cc1c(c2)CCO1)CCC
• IUPAC Name: N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzoxol-7-amine
• InChIKey: IJICKINLCUKIHY-UHFFFAOYSA-N
• INCHI: 1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
• Isomeric SMILES: CCCN(CCC)C1CCC2=CC3=C(C=C2C1)OCC3
• PubChem CID: 115007

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthofurans
• Alternative Parents: Tetralins Coumarans Aralkylamines Alkyl aryl ethers Trialkylamines Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Tetralin - Coumaran - Alkyl aryl ether - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Amine - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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)

DRD2 Tclin D(2) dopamine receptor (1 Activities)

Discover Target: DRD2

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

DRD3 Tclin D(3) dopamine receptor (2 Activities)

Discover Target: DRD3

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

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 273.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 273.209 Da
• Monoisotopic Mass: 273.209 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1