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M-PEG12-NHS ester

CAT: 0013-GTR19242570-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242570-02Size:100 mg
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Description
M-PEG12-NHS ester is a heterobifunctional PROTAC linker featuring a polyethylene glycol (PEG) spacer and an amine-reactive N-hydroxysuccinimide (NHS) ester terminus. It is widely used in chemical biology for constructing PROTAC degraders, facilitating the conjugation of E3 ligase ligands to target protein binders for both in vitro and in vivo degradation studies.
CAS Number
2207596-93-6
Product Name Alternative
M-PEG-12-NHS ester
Field of Research
Pharmacology & Drug Discovery
Solubility
DMSO:100 mg/mL (145.82 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (5.83 mM)
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Molecular Formula
C30H55NO16
Molecular Weight
685.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5,8,11,14,17,20,23,26,29,32,35-Dodecaoxaoctatriacontan-38-oic acid succinimidyl ester
CAS Number2207596-93-6
PubChem CID51340982
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC30H55NO16
Molecular Weight685.8
XLogP-2.6
Topological Polar Surface Area174
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count38
Heavy Atom Count47
Formal Charge0
Complexity731
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C30H55NO16/c1-35-6-7-37-10-11-39-14-15-41-18-19-43-22-23-45-26-27-46-25-24-44-21-20-42-17-16-40-13-12-38-9-8-36-5-4-30(34)47-31-28(32)2-3-29(31)33/h2-27H2,1H3
InChIKey
ZMXRHHJWXLKMTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5,8,11,14,17,20,23,26,29,32,35-Dodecaoxaoctatriacontan-38-oic acid succinimidyl ester
CAS: 2207596-93-6
CID: 51340982
Formula: C30H55NO16
MW: 685.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight685.8
XLogP3-2.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count38
Exact Mass685.35208467
Monoisotopic Mass685.35208467
Topological Polar Surface Area174 Ų
Heavy Atom Count47
Formal Charge0
Complexity731
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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