Eniporide hydrochloride - ≥98% , CAS No.211813-86-4

CAS: 211813-86-4 Cat. No.: E648343 Molecular Weight: 356.83 PubChem CID: 9950616

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Eniporide hydrochloride (EMD-96785 hydrochloride) is a potent Na + /H + exchange inhibitor.

In Vitro

There is no significant effects of the Na + /H + exchange inhibitor eniporide on cardiac performance and high energy phosphate content in healthy pig hearts subjected to ischemia/reperfusion induced by crystalloid cardioplegic arrest. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In stage 1, the administration of 100 mg and 150 mg eniporide results in smaller infarct sizes, especially in the angioplasty group. In contrast, in stage 2 there is no difference in the enzymatic infarct size between the three groups. Overall there is no effect of eniporide on clinical outcome (death, cardiogenic shock, heart failure, life-threatening arrhythmias). However, there is a significant reduction of the incidence of heart failure in patients reperfused late (>4 h). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Sodium Channel

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Eniporide hydrochloride (EMD-96785 hydrochloride) is a potent Na + /H + exchange inhibitor.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2.Cl
• IUPAC Name: N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide;hydrochloride
• InChIKey: ORYLKKCAKGABAS-UHFFFAOYSA-N
• INCHI: 1S/C14H16N4O3S.ClH/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16;/h3-8H,1-2H3,(H4,15,16,17,19);1H
• Isomeric SMILES: CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2.Cl
• PubChem CID: 9950616
• Molecular Weight: 356.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: o-Toluamides Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Acylguanidines Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrole - Benzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Benzoyl - Acylguanidine - Toluene - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Heteroaromatic compound - Guanidine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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: DMSO : 55 mg/mL (154.14 mM; Need ultrasonic) H2O : 4.17 mg/mL (11.69 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 356.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.071 Da
• Monoisotopic Mass: 356.071 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 545.000
• 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: 2

XLogP3