A778317 - Moligand™, ≥98% , Channel blocker of TRPV1, CAS No.808756-64-1, Channel blocker of TRPV1

CAS: 808756-64-1 Cat. No.: A607305 Molecular Weight: 359.46 PubChem CID: 17757384

GRADE & PURITY Moligand™, ≥98%

Synonyms

A 778317 | A-778317

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A 778317 | A-778317

Specifications & Purity

Moligand™, ≥98%

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.

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of TRPV1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: O=C(Nc1cccc2c1ccnc2)N[C@@H]1CCc2c1ccc(c2)C(C)(C)C
• IUPAC Name: 1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-isoquinolin-5-ylurea
• InChIKey: VPSCJCQPUGKRNC-OAQYLSRUSA-N
• INCHI: 1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
• Isomeric SMILES: CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=CN=C4
• PubChem CID: 17757384
• Molecular Weight: 359.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Indanes Pyridines and derivatives Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Indane - Benzenoid - Pyridine - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (2 Activities)

Discover Target: TRPV1

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

Mechanisms of Action