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Perindopril erbumine - 10mM in Water, high purity , CAS No.107133-36-8, Angiotensin-converting enzyme inhibitor
Angiotensin-converting enzyme (ACE) inhibitor
Basic Description
Synonyms
PERINDOPRIL ERBUMINE | 107133-36-8 | ACEON | Perindopril tert-butylamine | McN-A-2833-109 | Covapril | Perindopril erbumine [USAN] | S-9490-3 | Perindopril (erbumine) | Pederindopril | CHEBI:8025 | NSC-758929 | DTXSID1044198 | UNII-1964X464OJ | 1964X464OJ | Perindopril t-Butylamine Sa
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
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.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Angiotensin-converting enzyme inhibitor
Taxonomic Classification
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
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
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
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
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
INCHI
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
InChIKey
IYNMDWMQHSMDDE-MHXJNQAMSA-N
Smiles
CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N
Isomeric 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
Molecular Weight
441.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
441.600 g/mol
XLogP3
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
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