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Small Molecules & Compound Libraries
Signaling Pathways
Metabolic Enzyme/Protease
Angiotensin-converting Enzyme (ACE)
Imidaprilat , CAS No.89371-44-8, Inhibitor of Angiotensin-converting enzyme

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Imidaprilat , CAS No.89371-44-8, Inhibitor of Angiotensin-converting enzyme

COA

Grade & Purity:

Moligand™

≥95%

Cas Number: 89371-44-8
Molecular Weight: 377.39
PubChem CID: 5464344

In stock

Item Number

I353376

Grouped product items
SKU	Size	Availability	Price	Qty
I353376-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$305.90

an ACE ihibitor

View related series

Amino Acid/Protein Metabolism (1836) Angiotensin-converting Enzyme (ACE) (80) Angiotensin-converting enzyme Inhibitor (29) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1-methyl-2-oxo-imidazolidine-4-carboxylic acid \| 4-Imidazolidinecarboxylic acid, 3-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-1-methyl-2-oxo-, (4S)- \| Imidapril Diacid \| (4S)-3-((2S)-2-[N-(
Specifications & Purity	Moligand™, ≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Angiotensin-converting enzyme
Product Description	Imiddaprilat is an antihypertensive compound that inhibits the catalytic activity of angiotensin-converting enzyme (ACE). This prevents the conversion of angiotensin I to angiotensin II, a potent vasoconstrictor.

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 amides L-alpha-amino acids Aralkylamines N-acyl ureas Benzene and substituted derivatives Dicarboxylic acids and derivatives Imidazolidinones Dicarboximides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-dipeptide - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - N-acyl urea - Aralkylamine - Ureide - Imidazolidinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Dicarboximide - Imidazolidine - Urea - Amino acid - Amino acid or derivatives - Carbonic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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
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

Product Properties

pKa	pKa: 2.17 (Predicted), pKa: 7.12 (Predicted)

Associated Targets(Human)

ACE Tclin Angiotensin-converting enzyme (2 Activities)

Discover Target: ACE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

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	(4S)-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
INCHI	InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1
InChIKey	VFAVNRVDTAPBNR-UBHSHLNASA-N
Smiles	CC(C(=O)N1C(CN(C1=O)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
Isomeric SMILES	C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O
Molecular Weight	377.39
Reaxy-Rn	38273011
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38273011&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in water, methanol, and DMSO.
Refractive Index	n20D1.59 (Predicted)
Boil Point(°C)	~592.1° C at 760 mmHg (Predicted)
Melt Point(°C)	>224° C
Molecular Weight	377.400 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	377.159 Da
Monoisotopic Mass	377.159 Da
Topological Polar Surface Area	127.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	590.000
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	1

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