SEP-363856 , CAS No.1310426-33-5

CAS: 1310426-33-5 Cat. No.: S1429892 Molecular Weight: 183.27 EC Number: 879-757-1 PubChem CID: 89532783

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SEP-363856 (SEP-856), an orally active TAAR1 and 5-HT1A agonist and CNS active psychotropic agent with a unique, non-D2/5-HT2A mechanism of action, exerts its antipsychotic-like effects. SEP-363856 (SEP-856) has the potentialfor the study of schizophrenia.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 0.9

Names and Identifiers

• Canonical Smiles: CNCC1C2=C(CCO1)C=CS2
• IUPAC Name: 1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
• InChIKey: ABDDQTDRAHXHOC-QMMMGPOBSA-N
• INCHI: 1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
• Isomeric SMILES: CNC[C@H]1C2=C(CCO1)C=CS2
• Alternate CAS: 1310426-33-5
• PubChem CID: 89532783
• MeSH Entry Terms: 1-((7S)-5,7-dihydro-4H-thieno(2,3-c)pyran-7-yl)-N-methylmethanamine;SEP-363856;ulotaront
• Molecular Weight: 183.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrans
• Alternative Parents: Aralkylamines Pyrans Thiophenes Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyran - Aralkylamine - Pyran - Thiophene - Heteroaromatic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• 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