GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

6-Methyl-N-[3-(tricyclo[3.3.1.13,7]dec-1-yloxy)propyl]-4H-1,2,4-benzothiadiazine-3-propanamide-1,1-dioxide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

6-Methyl-N-[3-(tricyclo[3.3.1.13, 7]dec-1-yloxy)propyl]-4H-1, 2, 4-benzothiadiazine-3-propanamide-1, 1-dioxide

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective TRPC5 activator (EC50= 1.4 μM in a calcium influx assay, 1.3 μM in whole cell patch clamp assay). Displays >14.5-fold selectivity for TRPC5 over other TRP channels (EC50= 20.6 μM for TRPM8). Also activates TRPC1:5 and TRPC4:5 heteromers.

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

ACTIVATOR

Mechanism of action

Activator of TRPC5

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1)S(=O)(=O)N=C(N2)CCC(=O)NCCCOC34CC5CC(C3)CC(C5)C4
• 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
• Molecular Weight: 459.61

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)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 45.96, Max Conc. mM: 100

References

1. Hongyang Wang, Bo Zhao, Rui Dong, Ping Wen, Mingjin Fan.  (2024)  Covalent-Organic Framework Nanomaterials: Energy Band Engineering Generating Ultrathin Lubrication Films for Excellent Lubrication.  ACS Applied Materials & Interfaces,      [PMID:39239968] [10.1021/acsami.4c11808]