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DBCO-PEG1-amine

CAT: 0013-GTR19225694-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225694-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG1-amine is a bifunctional linker used to construct PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and animal models through the ubiquitin-proteasome system.
CAS Number
2364591-79-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (NCCOCCN) CCC (=O) N1C=2C=CC=CC2C#CC=3C=CC=CC3C1
Molecular Formula
C23H25N3O3
Molecular Weight
391.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG1-amine
CAS Number2364591-79-5
PubChem CID138455135
IUPAC NameN-[2-(2-aminoethoxy)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 FormulaC23H25N3O3
Molecular Weight391.5
XLogP1
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity623
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCN
InChI
InChI=1S/C23H25N3O3/c24-13-15-29-16-14-25-22(27)11-12-23(28)26-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)26/h1-8H,11-17,24H2,(H,25,27)
InChIKey
JLQNOOKKEZKUDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG1-amine
CAS: 2364591-79-5
CID: 138455135
Formula: C23H25N3O3
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass391.18959167
Monoisotopic Mass391.18959167
Topological Polar Surface Area84.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity623
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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