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Pyrene-amido-PEG4-CH2CH2COOH

CAT: 0013-GTR19226177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226177-01Size:100 mg
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Description
This polyethylene glycol (PEG) -based linker, featuring a pyrene moiety and a terminal carboxylic acid, is specifically engineered for the synthesis of PROTAC molecules. It facilitates the construction of bifunctional degraders for targeted protein degradation research in both cellular and biochemical assays.
CAS Number
1817735-34-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCOCCOCCOCCOCCNC (=O) C=1C=CC2=C3C1C=CC=4C=CCC (=CC2) C43
Molecular Formula
C28H33NO7
Molecular Weight
495.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrene-PEG4-acid
CAS Number1817735-34-4
PubChem CID102514811
IUPAC Name3-[2-[2-[2-[2-(4,6-dihydropyrene-1-carbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC28H33NO7
Molecular Weight495.6
XLogP2.5
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count36
Formal Charge0
Complexity782
SMILES
C1C=CC2=C3C1=CCC4=C3C(=C(C=C4)C(=O)NCCOCCOCCOCCOCCC(=O)O)C=C2
InChI
InChI=1S/C28H33NO7/c30-25(31)10-12-33-14-16-35-18-19-36-17-15-34-13-11-29-28(32)24-9-7-22-5-4-20-2-1-3-21-6-8-23(24)27(22)26(20)21/h1,3-4,6-9H,2,5,10-19H2,(H,29,32)(H,30,31)
InChIKey
VISZCCCHHXRQSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrene-PEG4-acid
CAS: 1817735-34-4
CID: 102514811
Formula: C28H33NO7
MW: 495.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass495.22570239
Monoisotopic Mass495.22570239
Topological Polar Surface Area103 Ų
Heavy Atom Count36
Formal Charge0
Complexity782
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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