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zatebradine , CAS No.85175-67-3, Channel blocker of HCN1;Channel blocker of HCN2;Channel blocker of HCN3;Channel blocker of HCN4

COA

Grade & Purity:

Moligand™

Cas Number: 85175-67-3
Molecular Weight: 456.6
PubChem CID: 65637

In stock

Item Number

Z614949

Grouped product items
SKU	Size	Availability	Price	Qty
Z614949-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
Z614949-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

HCN1 Channel blocker (7) HCN2 Channel blocker (6) HCN3 Channel blocker (3) HCN4 Channel blocker (6) Ion channel (2197)

Basic Description

Synonyms	3-(3-((3,4-Dimethoxyphenethyl)(methyl)amino)propyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one \| 3-(3-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[d]azepin-2-one \| Q27089283 \| Zatabradine \| Zate
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	CHANNEL BLOCKER
Mechanism of action	Channel blocker of HCN1;Channel blocker of HCN2;Channel blocker of HCN3;Channel blocker of HCN4

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 Aralkylamines Azepines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzazepine - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Lactam - Amino acid or derivatives - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organopnictogen compound - 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
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)

HCN3 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (1 Activities)

Discover Target: HCN3

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

HCN1 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (1 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 (1 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 (2 Activities)

Discover Target: HCN4

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 (92 Activities)

Discover Target: HCN4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cavia porcellus (23802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hcn1 Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (22 Activities)

Discover Target: Hcn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hcn2 Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (15 Activities)

Discover Target: Hcn2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
INCHI	InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3
InChIKey	KEDQCFRVSHYKLR-UHFFFAOYSA-N
Smiles	CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC
Isomeric SMILES	CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC
Alternate CAS	85175-67-3,91940-87-3 (hydrochloride)
PubChem CID	65637
MeSH Entry Terms	1,3,4,5-tetrahydro-7,8-dimethoxy-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylimino)propyl)-2H-3-benzazepin-2-one hydrochloride;UL-FS 49;UL-FS-49;zatebradine;zatebradine hydrochloride
Molecular Weight	456.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	456.600 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	456.262 Da
Monoisotopic Mass	456.262 Da
Topological Polar Surface Area	60.500 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	591.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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