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DBCO-PEG2-acid

CAT: 0013-GTR19225687-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225687-02Size:5 mg
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Description
DBCO-PEG2-acid is a bifunctional linker used to construct PROTAC molecules for targeted protein degradation. It enables the assembly of heterobifunctional degraders that harness the ubiquitin-proteasome system, facilitating research in oncology, neurology, and other therapeutic areas in both cellular and animal models.
CAS Number
2304558-25-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
OC (=O) CCOCCOCCNC (=O) CCC (=O) N1Cc2ccccc2C#Cc2ccccc12
Molecular Formula
C26H28N2O6
Molecular Weight
464.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG2-acid
CAS Number2304558-25-4
PubChem CID137700738
IUPAC Name3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoic acid
Molecular FormulaC26H28N2O6
Molecular Weight464.5
XLogP1.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity757
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCC(=O)O
InChI
InChI=1S/C26H28N2O6/c29-24(27-14-16-34-18-17-33-15-13-26(31)32)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19H2,(H,27,29)(H,31,32)
InChIKey
IZLCAESRDHFGLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG2-acid
CAS: 2304558-25-4
CID: 137700738
Formula: C26H28N2O6
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass464.19473662
Monoisotopic Mass464.19473662
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity757
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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