(-)-tertatolol - Moligand™ , Antagonist of 5-HT 1A receptor, CAS No.T614385, Antagonist of 5-HT 1A receptor

CAS: T614385 Cat. No.: T614385 PubChem CID: 23815478

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 1A receptor

Names and Identifiers

• Canonical Smiles: O[C@@H](COc1cccc2c1SCCC2)CNC(C)(C)C
• IUPAC Name: (2R)-1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-ol
• InChIKey: HTWFXPCUFWKXOP-CYBMUJFWSA-N
• INCHI: 1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m1/s1
• Isomeric SMILES: CC(C)(C)NC[C@H](COC1=CC=CC2=C1SCCC2)O
• PubChem CID: 23815478

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiochromanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiochromanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiochromanes
• Alternative Parents: 1-benzothiopyrans Phenol ethers Alkylarylthioethers Alkyl aryl ethers Thiopyrans Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Thiopyran - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Thioether - Secondary amine - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane 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)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

Discover Target: HTR1A

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