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Mal-amido-PEG4-NHS ester

CAT: 0013-GTR19174296Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174296Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-amido-PEG4-NHS ester is a heterobifunctional linker commonly used in the synthesis of PROTAC molecules. This reagent facilitates the conjugation of a target-binding ligand to an E3 ubiquitin ligase recruiter, enabling the development of degraders for both in vitro and in vivo target validation studies.
CAS Number
756525-99-2
Product Name Alternative
PEGs, PROTAC Linkers, PROTACLinker, PROTAC Linker, Inhibitor, MalamidoPEG4NHS ester, Mal-amido-PEG-4-NHS ester, Mal-amido-PEG4-NHS ester, Mal amido PEG4 NHS ester, inhibit, Alkyl/ether
Field of Research
Pharmacology & Drug Discovery
Purity
95.00% (May vary between batches)
Solubility
DMSO:10 mM
Smiles
C (CC (NCCOCCOCCOCCOCCC (ON1C (=O) CCC1=O) =O) =O) N2C (=O) C=CC2=O
Molecular Formula
C22H31N3O11
Molecular Weight
513.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Maleinimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic acid succinimidyl ester
CAS Number756525-99-2
PubChem CID51340950
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC22H31N3O11
Molecular Weight513.5
XLogP-2.9
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count36
Formal Charge0
Complexity796
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C22H31N3O11/c26-17(5-8-24-18(27)1-2-19(24)28)23-7-10-33-12-14-35-16-15-34-13-11-32-9-6-22(31)36-25-20(29)3-4-21(25)30/h1-2H,3-16H2,(H,23,26)
InChIKey
XSRYGQJQNPJNKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Maleinimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic acid succinimidyl ester
CAS: 756525-99-2
CID: 51340950
Formula: C22H31N3O11
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.5
XLogP3-2.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass513.19585881
Monoisotopic Mass513.19585881
Topological Polar Surface Area167 Ų
Heavy Atom Count36
Formal Charge0
Complexity796
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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