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DSPE-PEG4-DBCO

CAT: 1410-M33549-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M33549-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DSPE-PEG4-DBCO is a PEG-based linker for PROTACs that joins two essential ligands, essential for forming PROTAC molecules, enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
CAS Number
2112738-14-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1282.67
Molecular Formula
C71H116N3O15P
Notes
Research use only, not for human use.
Receptor
PROTACs

Chemical Information

Dspe-peg4-dbco
CAS Number2112738-14-2
PubChem CID129009580
IUPAC Name[(2R)-3-[2-[3-[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]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC71H116N3O15P
Molecular Weight1282.7
XLogP16.1
Topological Polar Surface Area224
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count62
Heavy Atom Count90
Formal Charge0
Complexity1950
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C71H116N3O15P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-70(78)86-60-65(89-71(79)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)61-88-90(80,81)87-52-49-73-68(76)47-51-83-54-56-85-58-57-84-55-53-82-50-46-67(75)72-48-45-69(77)74-59-64-39-34-33-37-62(64)43-44-63-38-35-36-40-66(63)74/h33-40,65H,3-32,41-42,45-61H2,1-2H3,(H,72,75)(H,73,76)(H,80,81)/t65-/m1/s1
InChIKey
RIQFURRJENJBHO-IDKUVDLHSA-N
Chemical Structure
2D Structure
2D structure of Dspe-peg4-dbco
CAS: 2112738-14-2
CID: 129009580
Formula: C71H116N3O15P
MW: 1282.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1282.7
XLogP316.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count15
Rotatable Bond Count62
Exact Mass1281.81440700
Monoisotopic Mass1281.81440700
Topological Polar Surface Area224 Ų
Heavy Atom Count90
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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