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PPI-1019

CAT: 0804-HY-123485-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123485-01Size:1 mg
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Description
PPI-1019 is an amyloid beta (Aβ) inhibitor. PPI-1019 can be used in the research of neurological diseases and Alzheimer's disease[1].
CAS Number
290828-45-4
UNSPSC
12352209
Target
Amyloid-β
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ppi-1019.html
Smiles
CC(C[C@@H](NC([C@H](NC([C@H](NC([C@H](NC([C@H](NC)CC(C)C)=O)C(C)C)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)C(N)=O)C
Molecular Formula
C36H54N6O5
Molecular Weight
650.85
References & Citations
[1]Findeis MA. Peptide inhibitors of beta amyloid aggregation. Curr Top Med Chem. 2002 Apr;2 (4) :417-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Ppi-1019

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

CAS Number290828-45-4
PubChem CID9830969
IUPAC Name(2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-methyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular FormulaC36H54N6O5
Molecular Weight650.9
XLogP3.2
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Heavy Atom Count47
Formal Charge0
Complexity1010
SMILES
CC(C)C[C@H](C(=O)N)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC
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
InChIKey
TUSUWHFYKZZRIG-JQWMYKLHSA-N
Chemical Structure
2D Structure
2D structure of Ppi-1019
CAS: 290828-45-4
CID: 9830969
Formula: C36H54N6O5
MW: 650.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.9
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Exact Mass650.41556884
Monoisotopic Mass650.41556884
Topological Polar Surface Area172 Ų
Heavy Atom Count47
Formal Charge0
Complexity1010
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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