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PBA-1105

CAT: 0013-GTR19236355-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236355-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PBA-1105 is an AUTOTAC molecule that induces p62 self-oligomerization and enhances autophagic clearance of ubiquitinated aggregates. It is a valuable research tool for studying selective autophagy in both cellular and animal models of protein aggregation diseases.
CAS Number
2410081-56-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (NCCOCCOCCOCCNCC1=CC=C (OCC=2C=CC=CC2) C (OCC=3C=CC=CC3) =C1) CCCC=4C=CC=CC4
Molecular Formula
C39H48N2O6
Molecular Weight
640.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[13-[3,4-Bis(phenylmethoxy)phenyl]-3,6,9-trioxa-12-azatridec-1-yl]benzenebutanamide
CAS Number2410081-56-8
PubChem CID146309362
IUPAC NameN-[2-[2-[2-[2-[[3,4-bis(phenylmethoxy)phenyl]methylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-phenylbutanamide
Molecular FormulaC39H48N2O6
Molecular Weight640.8
XLogP5.3
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count24
Heavy Atom Count47
Formal Charge0
Complexity769
SMILES
C1=CC=C(C=C1)CCCC(=O)NCCOCCOCCOCCNCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C39H48N2O6/c42-39(18-10-17-33-11-4-1-5-12-33)41-22-24-44-26-28-45-27-25-43-23-21-40-30-36-19-20-37(46-31-34-13-6-2-7-14-34)38(29-36)47-32-35-15-8-3-9-16-35/h1-9,11-16,19-20,29,40H,10,17-18,21-28,30-32H2,(H,41,42)
InChIKey
KWKXGSARCNKZPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[13-[3,4-Bis(phenylmethoxy)phenyl]-3,6,9-trioxa-12-azatridec-1-yl]benzenebutanamide
CAS: 2410081-56-8
CID: 146309362
Formula: C39H48N2O6
MW: 640.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.8
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count24
Exact Mass640.35123726
Monoisotopic Mass640.35123726
Topological Polar Surface Area87.3 Ų
Heavy Atom Count47
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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