L-366,509 - Moligand™ , Antagonist of OT receptor, CAS No.L611383, Antagonist of OT receptor

CAS: L611383 Cat. No.: L611383 PubChem CID: 3083288

GRADE & PURITY Moligand™

Synonyms

L-366,509 | GTPL2242 | DTXSID80930098 | Bicyclo(2.2.1)heptane-2-acetic acid, 2-hydroxy-7,7-dimethyl-1-((spiro(1H-indene-1,4'-piperidin)-1'-ylsulfonyl)methyl)-, (1S-exo)- | XKVDTEPESVJNPJ-UHFFFAOYSA-N | (1S-exo)-2-Hydroxy-7,7-dimethyl-1-((spiro(1H-indene-1

Storage

Room temperature

Specifications

Synonyms

L-366, 509 | GTPL2242 | DTXSID80930098 | Bicyclo(2.2.1)heptane-2-acetic acid, 2-hydroxy-7, 7-dimethyl-1-((spiro(1H-indene-1, 4'-piperidin)-1'-ylsulfonyl)methyl)-, (1S-exo)- | XKVDTEPESVJNPJ-UHFFFAOYSA-N | (1S-exo)-2-Hydroxy-7, 7-dimethyl-1-((spiro(1H-indene-1

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of OT receptor

Names and Identifiers

• Canonical Smiles: OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C
• IUPAC Name: 2-[6-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]acetic acid
• InChIKey: XKVDTEPESVJNPJ-UHFFFAOYSA-N
• INCHI: 1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)
• Isomeric SMILES: CC1(C2CCC1(C(C2)(CC(=O)O)O)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)C
• PubChem CID: 3083288

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Aromatic monoterpenoids Indenes and isoindenes Piperidines Organosulfonamides Organic sulfonamides Tertiary alcohols Sulfonyls Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic monoterpenoid - Bornane monoterpenoid - Indene - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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)

OXTR Tclin Oxytocin receptor (1 Activities)

Discover Target: OXTR

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