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DBCO-PEG3-amine

CAT: 0931-T39509-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T39509-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2093409-57-3
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
DBCO-PEG3-amine, a PEG-based linker for PROTACs, joins two essential ligands and facilitates the formation of PROTAC molecules, enabling selective protein degradation through the ubiquitin-proteasome system within cells.
Smiles
NCCOCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12
Molecular Formula
C27H33N3O5
Molecular Weight
479.577
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-11,12-didehydro-gamma-oxodibenz(b,f)azocine-5(6H)-butanamide
CAS Number2093409-57-3
PubChem CID132185827
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Molecular FormulaC27H33N3O5
Molecular Weight479.6
XLogP0.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity718
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCN
InChI
InChI=1S/C27H33N3O5/c28-13-15-33-17-19-35-20-18-34-16-14-29-26(31)11-12-27(32)30-21-24-7-2-1-5-22(24)9-10-23-6-3-4-8-25(23)30/h1-8H,11-21,28H2,(H,29,31)
InChIKey
ZDMKBOWJBWTBIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-11,12-didehydro-gamma-oxodibenz(b,f)azocine-5(6H)-butanamide
CAS: 2093409-57-3
CID: 132185827
Formula: C27H33N3O5
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass479.24202116
Monoisotopic Mass479.24202116
Topological Polar Surface Area103 Ų
Heavy Atom Count35
Formal Charge0
Complexity718
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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