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DBCO-PEG5-NHS ester

CAT: 0013-GTR19231702-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231702-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG5-NHS ester is a heterobifunctional linker used in constructing PROTAC degraders for targeted protein degradation research. Its PEG spacer and amine-reactive group enable the synthesis of molecules applied in both cellular and in vivo studies to probe disease pathways.
CAS Number
2144395-59-3
Product Name Alternative
PROTACLinker, PROTAC Linker, PROTAC linker, DBCO PEG5 NHS ester, DBCOPEG5NHS ester, DBCO-PEG-5-NHS ester, DBCO-PEG5-NHS ester, Cleavable
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Purity
98.18% (May vary between batches)
Solubility
DMSO:80 mg/mL (115.32 mM)
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCNC (=O) CCC (=O) N2C=3C=CC=CC3C#CC=4C=CC=CC4C2
Molecular Formula
C36H43N3O11
Molecular Weight
693.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG5-NHS ester
CAS Number2144395-59-3
PubChem CID134159305
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC36H43N3O11
Molecular Weight693.7
XLogP0.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count50
Formal Charge0
Complexity1170
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C36H43N3O11/c40-32(11-12-33(41)38-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)38)37-16-18-46-20-22-48-24-26-49-25-23-47-21-19-45-17-15-36(44)50-39-34(42)13-14-35(39)43/h1-8H,11-27H2,(H,37,40)
InChIKey
OYNJSALGAVUYGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG5-NHS ester
CAS: 2144395-59-3
CID: 134159305
Formula: C36H43N3O11
MW: 693.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight693.7
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass693.28975920
Monoisotopic Mass693.28975920
Topological Polar Surface Area159 Ų
Heavy Atom Count50
Formal Charge0
Complexity1170
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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