Etripamil - ≥98% , CAS No.1593673-23-4

CAS: 1593673-23-4 Cat. No.: E649927 Formula: C₂₇H₃₆N₂O₄ Molecular Weight: 452.59 EC Number: 190-159-3 PubChem CID: 91824132

GRADE & PURITY ≥98%

Synonyms

D10932 | S82A18Y42P | MS)-MSP-2017 | Q27289030 | methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate | Etripamil | Etripamil [INN] | methyl (S)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)eth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Etripamil (MSP-2017) is a short-acting L-type calcium-channel antagonist, can be used for the research of Paroxysmal Supraventricular Tachycardia (PSVT). Etripamil (MSP-2017) slows atrioventricular nodal conduction and prolongs atrioventricular nodal refractory periods by inhibiting calcium ion influx through the calcium slow channels in the atrioventricular node cells

Form:Oil

IC50& Target:L-type calcium channel

Specifications

Synonyms

D10932 | S82A18Y42P | MS)-MSP-2017 | Q27289030 | methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate | Etripamil | Etripamil [INN] | methyl (S)-3-(2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)eth

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Etripamil (MSP-2017) is a short-acting L-type calcium-channel antagonist, can be used for the research of Paroxysmal Supraventricular Tachycardia (PSVT). Etripamil (MSP-2017) slows atrioventricular nodal conduction and prolongs atrioventricular nodal refr

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.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC(C)C(CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC

IUPAC Name

methyl 3-[2-[[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylamino]ethyl]benzoate

InChIKey

VAZNEHLGJGSQEL-MHZLTWQESA-N

INCHI

1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1

Isomeric SMILES

CC(C)[C@](CCCN(C)CCC1=CC(=CC=C1)C(=O)OC)(C#N)C2=CC(=C(C=C2)OC)OC

Alternate CAS

1593673-23-4

PubChem CID

91824132

MeSH Entry Terms

Benzoic acid, 3-(2-(((4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl)-, methyl ester;etripamil;Methyl 3-(2-(((4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)(methyl)amino)ethyl)benzoate

Molecular Weight

452.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Dimethoxybenzenes Benzoic acid esters Phenylpropanes Phenethylamines Phenoxy compounds Benzoyl derivatives Anisoles Aralkylamines Alkyl aryl ethers Methyl esters Trialkylamines Amino acids and derivatives Nitriles Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbutylamine - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Phenethylamine - Phenylpropane - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Methyl ester - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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

Chemical and Physical Properties

• Solubility: Ethanol : 120 mg/mL (265.14 mM; Need ultrasonic)
• Molecular Weight: 452.600 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 452.268 Da
• Monoisotopic Mass: 452.268 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 645.000
• 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: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1593673-23-4, the molecular formula is C27H36N2O4, and the molecular weight is 452.59 g/mol. InChIKey VAZNEHLGJGSQEL-MHZLTWQESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.