Perindopril erbumine - ≥99% , Angiotensin-converting enzyme inhibitor, CAS No.107133-36-8, Angiotensin-converting enzyme inhibitor

CAS: 107133-36-8 Cat. No.: P302161 Formula: C₂₃H₄₃N₃O₅ Peso molecolare: 441.6 Numero EC: 600-798-6 PubChem CID: 441313

GRADE & PURITY ≥99%

Synonyms

DTXCID9024198 | PERINDOPRIL ERBUMINE [VANDF] | Erbumine, Perindopril | Perindopril t-Butylamine Salt | CCG-39035 | PERINDOPRIL TERT-BUTYLAMINE [MI] | (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

DTXCID9024198 | PERINDOPRIL ERBUMINE [VANDF] | Erbumine, Perindopril | Perindopril t-Butylamine Salt | CCG-39035 | PERINDOPRIL TERT-BUTYLAMINE [MI] | (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Angiotensin-converting enzyme (ACE) inhibitor (IC50= 1.05 nM). Brain penetrant. Suppresses the increase in hippocampal ACE activity and improves cognition in PS2APP-transgenic mice.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Meccanismo d'azione

Angiotensin-converting enzyme inhibitor

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504758754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758754

Sorrisi canonici

CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N

IUPAC Name

(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine

InChIKey

IYNMDWMQHSMDDE-MHXJNQAMSA-N

INCHI

1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1

Isomeri SMILES

CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N

PubChem CID

441313

Peso molecolare

441.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Alpha amino acid esters N-acyl-L-alpha-amino acids Alpha amino acid amides Indoles and derivatives Pyrrolidine carboxylic acids N-acylpyrrolidines Fatty acid esters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Monoalkylamines
• Molecular Framework: Not available
• Substituents: Alpha-dipeptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Primary amine - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Descrizione: 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: addition compound

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

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:ethanol, Max Conc. mg/mL: 22.08, Max Conc. mM: 50
• Sensibilità: Moisture sensitive
• Peso molecolare: 441.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 441.32 Da
• Monoisotopic Mass: 441.32 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 549.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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