Fosinopril Sodium - Moligand™,2mM in Water , Angiotensin-converting enzyme inhibitor, CAS No.88889-14-9, Angiotensin-converting enzyme inhibitor

CAS: 88889-14-9 Cat. No.: F426692 Molecular Weight: 585.64 EC Number: 620-449-1 PubChem CID: 23681451

GRADE & PURITY Moligand™, 2mM in Water

Synonyms

Fosinopril, (1(S*(R*)),2 alpha,4 beta)-Isomer | Fosinopril sodium- Bio-X | A842989 | HY-P0018 | FOSINOPRIL SODIUM (USP MONOGRAPH) | (4S)-4-CYCLOHEXYL-1-((R)-((S)-1-HYDROXY-2-METHYLPROPOXY)(4-PHENYLBUTYL)PHOSPHINYL)ACETYL-L-PROLINE PROPIONATE (ESTER), SODI

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

An angiotensin-converting enzyme inhibitor.

Specifications

Synonyms

Fosinopril, (1(S*(R*)), 2 alpha, 4 beta)-Isomer | Fosinopril sodium- Bio-X | A842989 | HY-P0018 | FOSINOPRIL SODIUM (USP MONOGRAPH) | (4S)-4-CYCLOHEXYL-1-((R)-((S)-1-HYDROXY-2-METHYLPROPOXY)(4-PHENYLBUTYL)PHOSPHINYL)ACETYL-L-PROLINE PROPIONATE (ESTER), SODI

Specifications & Purity

Moligand™, 2mM in Water

Biochemical and Physiological Mechanisms

Fosinopril sodium is an ACE(angiotensin-converting enzyme) inhibitor.Competitive ACE inhibitor. Prodrug of metabolite fosinoprilat. Shows antihypertensive effects in vivo. Orally active.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Angiotensin-converting enzyme inhibitor

Names and Identifiers

• Canonical Smiles: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3.[Na+]
• IUPAC Name: sodium;(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
• InChIKey: TVTJZMHAIQQZTL-HREVRLCXSA-M
• INCHI: 1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30?,39?;/m1./s1
• Isomeric SMILES: CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+]
• WGK Germany: 3
• PubChem CID: 23681451
• Molecular Weight: 585.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids Pyrrolidine carboxylic acids N-acylpyrrolidines Benzene and substituted derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Phosphinic acid esters Carboxylic acid esters Carboxylic acid salts Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Organic sodium salts Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Proline or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Phosphinic acid ester - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organophosphorus compound - Organic salt - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: organic sodium salt

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 585.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 585.283 Da
• Monoisotopic Mass: 585.283 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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