BTD - Moligand™ , Activator of TRPC5, CAS No.B608237, Activator of TRPC5

CAS: B608237 Cat. No.: B608237 PubChem CID: 46369355

GRADE & PURITY Moligand™

Synonyms

K261-1567

Storage

Room temperature

Specifications

Synonyms

K261-1567

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPC5

Names and Identifiers

• Canonical Smiles: O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3
• IUPAC Name: N-[3-(1-adamantyloxy)propyl]-3-(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanamide
• InChIKey: YXADKMPRWFBOHW-UHFFFAOYSA-N
• INCHI: 1S/C24H33N3O4S/c1-16-3-4-21-20(9-16)26-22(27-32(21,29)30)5-6-23(28)25-7-2-8-31-24-13-17-10-18(14-24)12-19(11-17)15-24/h3-4,9,17-19H,2,5-8,10-15H2,1H3,(H,25,28)(H,26,27)
• Isomeric SMILES: CC1=CC2=C(C=C1)S(=O)(=O)N=C(N2)CCC(=O)NCCCOC34CC5CC(C3)CC(C5)C4
• PubChem CID: 46369355

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiadiazines
      • Subclass Benzothiadiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiadiazines
• Subclass: Benzothiadiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-benzothiadiazine-1,1-dioxides
• Alternative Parents: Imidolactams Fatty amides Benzenoids Organosulfonic acids and derivatives Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-benzothiadiazine-1,1-dioxide - Fatty amide - Benzenoid - Imidolactam - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Amidine - Azacycle - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.
• 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)

TRPC5 Tchem Short transient receptor potential channel 5 (2 Activities)

Discover Target: TRPC5

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