Moexipril HCl - ≥98% , Angiotensin-converting enzyme inhibitor, CAS No.82586-52-5, Angiotensin-converting enzyme inhibitor

CAS: 82586-52-5 Cat. No.: M129328 Molecular Weight: 535.03 EC Number: 617-363-1

GRADE & PURITY ≥98%

Synonyms

BM164604 | Tox21_112590 | D00623 | MOEXIPRIL HYDROCHLORIDE | NCGC00263546-01 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, monohydrochloride, (3S-(2(R*(R*)),3R*))- | CI-925

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Moexipril HCl is a potent orally active non-sulfhydryl angiotensin converting enzyme inhibitor (ACE) with IC50 of 0.041 μM, which is used for the treatment of hypertension and congestive heart failure.
Moexipril HCl is a potent orally active non sulfhydryl angiotensin converting enzyme(ACE) inhibitor

Specifications

Synonyms

BM164604 | Tox21_112590 | D00623 | MOEXIPRIL HYDROCHLORIDE | NCGC00263546-01 | 3-Isoquinolinecarboxylic acid, 1, 2, 3, 4-tetrahydro-6, 7-dimethoxy-2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, monohydrochloride, (3S-(2(R*(R*)), 3R*))- | CI-925

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Moexipril is an ACE-Inhibitor; Antihypertensive; Unlike other ACE inhibitors, prolongs QT interval leading to torsades de pointes and cardiad arrhythmia.

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

INHIBITOR

Mechanism of action

Angiotensin-converting enzyme inhibitor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753680
• Canonical Smiles: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.Cl
• IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
• InChIKey: JXRAXHBVZQZSIC-JKVLGAQCSA-N
• INCHI: 1S/C27H34N2O7.ClH/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32;/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32);1H/t17-,21-,22-;/m0./s1
• Isomeric SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC.Cl
• WGK Germany: 3
• RTECS: NW7174500
• Molecular Weight: 535.03
• Reaxy-Rn: 7848414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7848414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid esters Alpha amino acid amides Tetrahydroisoquinolines Anisoles Alkyl aryl ethers Fatty acid esters Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Amino acids Carboxylic acid esters Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Hydrochlorides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Alpha-amino acid ester - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary aliphatic amine - Ether - Carboxylic acid - Azacycle - Secondary amine - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide 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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 20 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 535.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 534.213 Da
• Monoisotopic Mass: 534.213 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 742.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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