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Mal-amido-PEG8-NHS ester

CAT: 0013-GTR19174293Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174293Size:25 mg
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Description
Mal-amido-PEG8-NHS ester is a heterobifunctional PROTAC linker featuring a maleimide group for cysteine conjugation and an NHS ester for amine coupling. This water-soluble PEG-based spacer is widely used in constructing proteolysis-targeting chimeras (PROTACs) for both in vitro and in vivo targeted protein degradation studies.
CAS Number
756525-93-6
Product Name Alternative
Alkyl/ether, PEGs, inhibit, Inhibitor, MalamidoPEG8NHS ester, Mal-amido-PEG-8-NHS ester, Mal-amido-PEG8-NHS ester, Mal amido PEG8 NHS ester, PROTACLinker, PROTAC Linker, PROTAC Linkers
Field of Research
Pharmacology & Drug Discovery
Purity
≥98% (May vary between batches)
Solubility
DMSO:10 mM;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.9 mM)
Smiles
O (C (CCOCCOCCOCCOCCOCCOCCOCCOCCNC (CCN1C (=O) C=CC1=O) =O) =O) N2C (=O) CCC2=O
Molecular Formula
C30H47N3O15
Molecular Weight
689.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Maleinimido-3-oxo-7,10,13,16,19,22,25,28-octaoxa-4-azahentriacontan-31-oic acid succinimidyl ester
CAS Number756525-93-6
PubChem CID57568672
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC30H47N3O15
Molecular Weight689.7
XLogP-3.5
Topological Polar Surface Area204
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count32
Heavy Atom Count48
Formal Charge0
Complexity992
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C30H47N3O15/c34-25(5-8-32-26(35)1-2-27(32)36)31-7-10-41-12-14-43-16-18-45-20-22-47-24-23-46-21-19-44-17-15-42-13-11-40-9-6-30(39)48-33-28(37)3-4-29(33)38/h1-2H,3-24H2,(H,31,34)
InChIKey
MTPWCXBUZLEBDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Maleinimido-3-oxo-7,10,13,16,19,22,25,28-octaoxa-4-azahentriacontan-31-oic acid succinimidyl ester
CAS: 756525-93-6
CID: 57568672
Formula: C30H47N3O15
MW: 689.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight689.7
XLogP3-3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count32
Exact Mass689.30071780
Monoisotopic Mass689.30071780
Topological Polar Surface Area204 Ų
Heavy Atom Count48
Formal Charge0
Complexity992
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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