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Mal-amido-PEG3-C1-​NHS ester

CAT: 0804-HY-133582Size: 1 EachDry Ice: NoHazardous: No
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Description
Mal-amido-PEG3-C1- NHS ester is a non-cleavable 3 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs) .
CAS Number
2101206-45-3
UNSPSC
12352203
Hazard Statement
H302-H315-H319-H335
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mal-amido-peg3-c1-nhs-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(ON1C(CCC1=O)=O)COCCOCCOCCNC(CCN2C(C=CC2=O)=O)=O
Molecular Formula
C19H25N3O10
Molecular Weight
455.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017 May;16 (5) :315-337.
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Non-cleavable Linker

Chemical Information

Mal-amido-PEG3-C1-NHS ester
CAS Number2101206-45-3
PubChem CID129896958
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]acetate
Molecular FormulaC19H25N3O10
Molecular Weight455.4
XLogP-2.7
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count32
Formal Charge0
Complexity732
SMILES
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C19H25N3O10/c23-14(5-7-21-15(24)1-2-16(21)25)20-6-8-29-9-10-30-11-12-31-13-19(28)32-22-17(26)3-4-18(22)27/h1-2H,3-13H2,(H,20,23)
InChIKey
HMTNEILNSWIWRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG3-C1-NHS ester
CAS: 2101206-45-3
CID: 129896958
Formula: C19H25N3O10
MW: 455.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.4
XLogP3-2.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass455.15399400
Monoisotopic Mass455.15399400
Topological Polar Surface Area158 Ų
Heavy Atom Count32
Formal Charge0
Complexity732
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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