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HOE-288

CAT: 0804-HY-106457Size: 1 EachDry Ice: NoHazardous: No
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Description
HOE-288 is an orally active angiotensin-converting enzyme (ACE) inhibitor. HOE-288 can be used for the research of neurological disease[1].
CAS Number
93231-79-9
UNSPSC
12352005
Target
Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Smiles
O=C(C1N(CC2(CC3CCC2CC3)C1)C(C(C)NC(CCC4=CC=CC=C4)C(OCC)=O)=O)O
Molecular Formula
C27H38N2O5
Molecular Weight
470.60
References & Citations
[1]Dennes RP, et al. Attenuation of scopolamine-induced spatial memory deficits in the rat by cholinomimetic and non-cholinomimetic drugs using a novel task in the 12-arm radial maze. Psychopharmacology (Berl) . 1993;111 (4) :435-41.|[2]Gohlke P, et al. Inhibition of converting enzyme in brain tissue and cerebrospinal fluid of rats following chronic oral treatment with the converting enzyme inhibitors ramipril and Hoe 288. J Cardiovasc Pharmacol. 1989;14 Suppl 4:S32-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hoe 288

structure given in first source

CAS Number93231-79-9
PubChem CID130318
IUPAC Name1'-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]spiro[bicyclo[2.2.2]octane-2,4'-pyrrolidine]-2'-carboxylic acid
Molecular FormulaC27H38N2O5
Molecular Weight470.6
XLogP2.3
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity743
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CC4CCC3CC4)CC2C(=O)O
InChI
InChI=1S/C27H38N2O5/c1-3-34-26(33)22(14-11-19-7-5-4-6-8-19)28-18(2)24(30)29-17-27(16-23(29)25(31)32)15-20-9-12-21(27)13-10-20/h4-8,18,20-23,28H,3,9-17H2,1-2H3,(H,31,32)
InChIKey
NWHCDUODNHUNLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hoe 288
CAS: 93231-79-9
CID: 130318
Formula: C27H38N2O5
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass470.27807232
Monoisotopic Mass470.27807232
Topological Polar Surface Area95.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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