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DNP-PEG4-DBCO

CAT: 0013-GTR19225636-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225636-02Size:500 mg
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Description
DNP-PEG4-DBCO is a heterobifunctional PEG 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 in vivo models through the ubiquitin-proteasome system.
CAS Number
2149585-17-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (NCCC (=O) N1C=2C=CC=CC2C#CC=3C=CC=CC3C1) CCOCCOCCOCCOCCNC4=CC=C (C=C4N (=O) =O) N (=O) =O
Molecular Formula
C35H39N5O10
Molecular Weight
689.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dnp-peg4-dbco
CAS Number2149585-17-9
PubChem CID134159734
IUPAC NameN-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Molecular FormulaC35H39N5O10
Molecular Weight689.7
XLogP3.4
Topological Polar Surface Area190
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count50
Formal Charge0
Complexity1150
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C35H39N5O10/c41-34(37-15-13-35(42)38-26-29-7-2-1-5-27(29)9-10-28-6-3-4-8-32(28)38)14-17-47-19-21-49-23-24-50-22-20-48-18-16-36-31-12-11-30(39(43)44)25-33(31)40(45)46/h1-8,11-12,25,36H,13-24,26H2,(H,37,41)
InChIKey
QEBKLLLFFHAWSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dnp-peg4-dbco
CAS: 2149585-17-9
CID: 134159734
Formula: C35H39N5O10
MW: 689.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight689.7
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass689.26969246
Monoisotopic Mass689.26969246
Topological Polar Surface Area190 Ų
Heavy Atom Count50
Formal Charge0
Complexity1150
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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