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Mal-PEG2-acid

CAT: 0931-T15978-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15978-01Size:5 mg
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CAS Number
1374666-32-6
Target
PROTAC Linker, ADC Linker
Related Pathways
PROTAC, Antibody-drug Conjugate/ADC Related
Bioactivity
Mal-PEG2-acid is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) . It can be conjugated to Tubulysin and its derivative cytotoxic molecule [1].
Smiles
OC(=O)CCOCCOCCN1C(=O)C=CC1=O
Molecular Formula
C11H15NO6
Molecular Weight
257.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-PEG2-acid
CAS Number1374666-32-6
PubChem CID68028837
IUPAC Name3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoic acid
Molecular FormulaC11H15NO6
Molecular Weight257.24
XLogP-0.3
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity333
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCC(=O)O
InChI
InChI=1S/C11H15NO6/c13-9-1-2-10(14)12(9)4-6-18-8-7-17-5-3-11(15)16/h1-2H,3-8H2,(H,15,16)
InChIKey
TXMDOUPVKVGPIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG2-acid
CAS: 1374666-32-6
CID: 68028837
Formula: C11H15NO6
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass257.08993720
Monoisotopic Mass257.08993720
Topological Polar Surface Area93.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity333
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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