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DBCO-PEG2-acid

CAT: 0931-T17785-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T17785-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2304558-25-4
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
DBCO-PEG2-acid is a PEG-based linker for PROTACs, facilitating the conjugation of two essential ligands necessary for PROTAC molecule formation, and enables selective protein degradation via the ubiquitin-proteasome system within cells.
Smiles
OC(=O)CCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
Molecular Formula
C26H28N2O6
Molecular Weight
464.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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JH917390DBCO-PEG2-acid
HY-164210DBCO-PEG2-C2-acid
BA2497-5DBCO-PEG2-DBCO
HY-W800723-01Methyltetrazine-PEG2-DBCO
JH917382DBCO-PEG2-OH
MBS5770655DBCO-PEG2-amine
HY-133498-01HyNic-PEG2-DBCO
HY-W800725M-PEG2-DBCO
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