PPI-1019

Identification

Generic Name
PPI-1019
DrugBank Accession Number
DB05832
Background

Apan (PPI-1019) is developed by Praecis Pharmaceuticals to treat Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 650.865
Monoisotopic: 650.415568863
Chemical Formula
C36H54N6O5
Synonyms
Not Available
External IDs
  • PPI 1019
  • PPI-1019

Pharmacology

Indication

Investigated for use/treatment in alzheimer's disease.

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Pharmacodynamics

Not Available

Mechanism of action

PPI-1019 (Apan) inhibits the aggregation of
beta-amyloid and its associated nerve cell toxicity. In addition, Apan reaches the brain in quantities that are sufficient to
block the aggregation of beta-amyloid molecules and alter the course of the disease.

Accumulation of beta-amyloid in the brain is often thought of as a defect in the ability to clear beta-amyloid from the brain through the cerebral spinal fluid (CSF). Both humans and transgenic mice with Alzheimer's disease plaques show increased levels of beta-amyloid in the brain and decreased levels in the CSF. Transgenic mice treated with Apan show significant increases in beta-amyloid levels in the CSF, indicating that Apan is able to mobilize beta-amyloid in the brain and may be facilitating its clearance.

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
APAN

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Phenylalanine and derivatives / Leucine and derivatives / Valine and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / N-acyl amines / Secondary carboxylic acid amides / Primary carboxylic acid amides / Dialkylamines
show 3 more
Substituents
Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxamide group
show 19 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2F25P9Y22O
CAS number
290828-45-4
InChI Key
TUSUWHFYKZZRIG-JQWMYKLHSA-N
InChI
InChI=1S/C36H54N6O5/c1-22(2)18-27(32(37)43)39-34(45)29(20-25-14-10-8-11-15-25)40-35(46)30(21-26-16-12-9-13-17-26)41-36(47)31(24(5)6)42-33(44)28(38-7)19-23(3)4/h8-17,22-24,27-31,38H,18-21H2,1-7H3,(H2,37,43)(H,39,45)(H,40,46)(H,41,47)(H,42,44)/t27-,28-,29-,30-,31-/m1/s1
IUPAC Name
(2R)-N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]-4-methyl-2-(methylamino)pentanamide
SMILES
CN[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC(C)C)C(N)=O

References

General References
Not Available
PubChem Compound
9830969
PubChem Substance
347827746
ChemSpider
8006703

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAlzheimer's Disease (AD)1
1, 2CompletedTreatmentAlzheimer's Disease (AD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00303 mg/mLALOGPS
logP2.65ALOGPS
logP3.61Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)11.92Chemaxon
pKa (Strongest Basic)8.79Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area171.52 Å2Chemaxon
Rotatable Bond Count19Chemaxon
Refractivity181.86 m3·mol-1Chemaxon
Polarizability72.42 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ufr-0220339000-984d007a0e5f832208a7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0100019000-257eeccfc15cd49fbe5f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0096-4900261000-4e7db98cf8e6b0c19723
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-9131373000-9400f916cc59a0adaa90
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-6719430000-9ebf00c1ca1e4a7f358c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r6-9100000000-eb0cbf7476328898b29b
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-252.06078
predicted
DeepCCS 1.0 (2019)
[M+H]+253.88568
predicted
DeepCCS 1.0 (2019)
[M+Na]+259.49152
predicted
DeepCCS 1.0 (2019)

Drug created at November 18, 2007 18:28 / Updated at June 12, 2020 16:52