EC18 - Moligand™ , Channel blocker of HCN1;Channel blocker of HCN2;Channel blocker of HCN4, CAS No.E610053, Channel blocker of HCN1;Channel blocker of HCN2;Channel blocker of HCN4

CAS: E610053 Cat. No.: E610053 PubChem CID: 50902958

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of HCN1;Channel blocker of HCN2;Channel blocker of HCN4

Names and Identifiers

• Canonical Smiles: COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C
• IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
• InChIKey: IUAVZEYOWYFRAS-UHFFFAOYSA-N
• INCHI: 1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3
• Isomeric SMILES: CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCC(C2)N3CCC4=CC(=C(C=C4CC3=O)OC)OC
• PubChem CID: 50902958

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Alkyl aryl ethers Cyclohexylamines Azepines Aralkylamines Tertiary carboxylic acid amides Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Anisole - Methoxybenzene - Phenoxy compound - Phenol ether - Azepine - Cyclohexylamine - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
• 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)

HCN1 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (0 Activities)

Discover Target: HCN1

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

HCN2 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (0 Activities)

Discover Target: HCN2

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

HCN4 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (1 Activities)

Discover Target: HCN4

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

Mechanisms of Action