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Mal-PEG1-NHS ester

CAT: 0013-GTR19155672-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155672-07Size:100 mg
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Description
Mal-PEG1-NHS ester is a cleavable and PEG-based ADC linker used in the synthesis of antibody-drug conjugates (ADCs) . It also is PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1807518-72-4
Field of Research
Cell Biology
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (322.31 mM)
Smiles
O=C (CCOCCN (C (C=C1) =O) C1=O) ON (C (CC1) =O) C1=O
Molecular Formula
C13H14N2O7
Molecular Weight
310.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mal-PEG1-NHS ester
CAS Number1807518-72-4
PubChem CID59992617
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
Molecular FormulaC13H14N2O7
Molecular Weight310.26
XLogP-1.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity521
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2
InChIKey
AMRJPIJPLBUEHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG1-NHS ester
CAS: 1807518-72-4
CID: 59992617
Formula: C13H14N2O7
MW: 310.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.26
XLogP3-1.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass310.08010079
Monoisotopic Mass310.08010079
Topological Polar Surface Area110 Ų
Heavy Atom Count22
Formal Charge0
Complexity521
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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