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Perindoprilat

CAT: 0013-GTR19203878-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203878-01Size:50 mg
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Description
Perindoprilat is the active metabolite of the ACE inhibitor perindopril. It is widely used in cardiovascular research to study hypertension and heart failure mechanisms, employing both in vitro enzyme assays and in vivo animal models.
CAS Number
95153-31-4
Product Name Alternative
Angiotensin-converting enzyme, Angiotensin-converting Enzyme (ACE), ACE inhibitor, ACE, AChR, inhibit, MRP, HNSCC, Inhibitor, hypertension, Perindoprilate, Perindoprilat, S 9780, S9780, S-9780
Field of Research
Immunology & Inflammation, Metabolism Research, Neuroscience
Purity
99.21% (May vary between batches)
Solubility
DMSO:7.5 mg/mL (22.03 mM)
Smiles
C ([C@@H] (N[C@@H] (CCC) C (O) =O) C) (=O) N1[C@@]2 ([C@] (C[C@H]1C (O) =O) (CCCC2) [H]) [H]
Molecular Formula
C17H28N2O5
Molecular Weight
340.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Perindoprilat

Perindoprilat is a dipeptide obtained by formal condensation of one of the carboxy groups of N-[(1S)-1-carboxyethyl]-L-norvaline with the amino group of (2S,3aS,7aS)-octahydroindole-2-carboxylic acid. The major active metabolite of perindopril. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a drug metabolite. It is an organic heterobicyclic compound, a dicarboxylic acid, a dipeptide and a L-alanine derivative.

CAS Number95153-31-4
PubChem CID72022
IUPAC Name(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC17H28N2O5
Molecular Weight340.4
XLogP0.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity495
SMILES
CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
InChI
InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKey
ODAIHABQVKJNIY-PEDHHIEDSA-N
Chemical Structure
2D Structure
2D structure of Perindoprilat
CAS: 95153-31-4
CID: 72022
Formula: C17H28N2O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass340.19982200
Monoisotopic Mass340.19982200
Topological Polar Surface Area107 Ų
Heavy Atom Count24
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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