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DBCO-PEG4-acid

CAT: 0013-GTR19222296-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222296-02Size:500 mg
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Description
DBCO-PEG4-acid is a heterobifunctional linker used to construct PROTAC molecules for targeted protein degradation. It facilitates the assembly of E3 ligase ligands with protein-of-interest binders, enabling the study of ubiquitin-proteasome system function in both cellular and in vivo research models.
CAS Number
2110448-99-0
Field of Research
Pharmacology & Drug Discovery
Smiles
OC (=O) CCOCCOCCOCCOCCC (=O) NCCC (=O) N1Cc2ccccc2C#Cc2ccccc12
Molecular Formula
C30H36N2O8
Molecular Weight
552.624
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,7,10,13-Tetraoxa-17-azaeicosanoic acid, 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-16,20-dioxo-
CAS Number2110448-99-0
PubChem CID126480601
IUPAC Name3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC30H36N2O8
Molecular Weight552.6
XLogP1
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity853
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C30H36N2O8/c33-28(12-15-37-17-19-39-21-22-40-20-18-38-16-13-30(35)36)31-14-11-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23H2,(H,31,33)(H,35,36)
InChIKey
NSVSVWJDGZGQGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,7,10,13-Tetraoxa-17-azaeicosanoic acid, 20-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-16,20-dioxo-
CAS: 2110448-99-0
CID: 126480601
Formula: C30H36N2O8
MW: 552.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.6
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass552.24716611
Monoisotopic Mass552.24716611
Topological Polar Surface Area124 Ų
Heavy Atom Count40
Formal Charge0
Complexity853
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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