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Enalaprilat Dihydrate

CAT: 0931-T6340-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T6340-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84680-54-6
Target
Angiotensin-converting Enzyme (ACE), RAAS, Autophagy
Related Pathways
Autophagy, Endocrinology/Hormones, Metabolism
Purity
0.9978
Bioactivity
Enalaprilat Dihydrate (MK-422 Dihydrate) (IC50=1.94 nM) is a potent angiotensin-converting enzyme (ACE) inhibitor.
Smiles
O.O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Molecular Formula
C18H24N2O5·2H2O
Molecular Weight
348.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-1-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid;dihydrate

Enalaprilat dihydrate is the dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It contains an enalaprilat (anhydrous).

CAS Number84680-54-6
PubChem CID6917719
IUPAC Name(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;dihydrate
Molecular FormulaC18H28N2O7
Molecular Weight384.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O.O.O
InChI
InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
InChIKey
MZYVOFLIPYDBGD-MLZQUWKJSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1-((2S)-2-(((1S)-1-carboxy-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid;dihydrate
CAS: 84680-54-6
CID: 6917719
Formula: C18H28N2O7
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass384.18965124
Monoisotopic Mass384.18965124
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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