Ivabradine HCl - ≥98% , Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker, CAS No.148849-67-6, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker

CAS: 148849-67-6 Cat. No.: I129899 Molecular Weight: 505.05 EC Number: 638-798-3 PubChem CID: 3045381

GRADE & PURITY ≥98%

Synonyms

3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino)propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride | Ivabradine HCl | IVABRADINE HYDROCHLORIDE [MI] | 2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Ivabradine HCl, a new If inhibitor with IC 50 of 2.9 μM which acts specifically on the pacemaker activity of the sinoatrial node, is a pure heart rate lowering agent.
A selective bradycardic agent.

Specifications

Synonyms

3-[3-({[(7S)-3, 4-dimethoxybicyclo[4.2.0]octa-1, 3, 5-trien-7-yl]methyl}(methyl)amino)propyl]-7, 8-dimethoxy-2, 3, 4, 5-tetrahydro-1H-3-benzazepin-2-one hydrochloride | Ivabradine HCl | IVABRADINE HYDROCHLORIDE [MI] | 2H-3-Benzazepin-2-one, 3-(3-(((3, 4-dimethoxy

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

HCN channel blocker (IC50is approximately 0.5 - 2.5 μM). Bradycardic agent that inhibits Ifpacemaker current in sinoatrial node cells.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

BLOCKER

Mechanism of action

Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762377
• Canonical Smiles: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC.Cl
• IUPAC Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
• InChIKey: HLUKNZUABFFNQS-ZMBIFBSDSA-N
• INCHI: 1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
• Isomeric SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC.Cl
• WGK Germany: 3
• PubChem CID: 3045381
• Molecular Weight: 505.05

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: Anisoles Azepines Aralkylamines Alkyl aryl ethers Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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: hydrochloride

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(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 50.51, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 50.51, Max Conc. mM: 100
• Sensitivity: heat sensitive
• Specific Rotation[α]: 7° (C=1,DMSO)
• Melt Point(°C): 140 °C
• Molecular Weight: 505.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 504.239 Da
• Monoisotopic Mass: 504.239 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3

References

1. Guo-Xuan Liu, Fan Diao, Guang Lu, Qiang Zheng, Bin Fu, Hua-Chen Jiao, Ke-Zhou Wang, Dong-Hai Liu.  (2025)  Alectinib causes sinus bradycardia by suppressing L-type calcium current in sinus node.  EUROPEAN JOURNAL OF PHARMACOLOGY,      [PMID:40118326] [10.1016/j.ejphar.2025.177527]