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3,4-Dibromo-Mal-PEG4-Acid

CAT: 0804-HY-W591402-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W591402-01Size:25 mg
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Description
3,4-Dibromo-Mal-PEG4-acid is a site specific ADC linker with a dibromomaleimide group and an acid group. The dibromomaleimide group allows for two points of substitution due to the two bromine atoms. The carboxylic acid can react with primary amines in the presence of EDC and HATU to form a stable amide bond. The hydrophilic PEG linker increases the water solubility of compounds in aqueous media.
CAS Number
2434639-17-3
UNSPSC
12352203
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Field of Research
Cancer
Smiles
O=C(CCOCCOCCOCCOCCN1C(C(Br)=C(C1=O)Br)=O)O
Molecular Formula
C15H21Br2NO8
Molecular Weight
503.14
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

3,4-Dibromo-Mal-PEG4-Acid
CAS Number2434639-17-3
PubChem CID167313012
IUPAC Name3-[2-[2-[2-[2-(3,4-dibromo-2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC15H21Br2NO8
Molecular Weight503.14
XLogP0.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count26
Formal Charge0
Complexity502
SMILES
C(COCCOCCOCCOCCN1C(=O)C(=C(C1=O)Br)Br)C(=O)O
InChI
InChI=1S/C15H21Br2NO8/c16-12-13(17)15(22)18(14(12)21)2-4-24-6-8-26-10-9-25-7-5-23-3-1-11(19)20/h1-10H2,(H,19,20)
InChIKey
JMJVXNRBNZBUFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromo-Mal-PEG4-Acid
CAS: 2434639-17-3
CID: 167313012
Formula: C15H21Br2NO8
MW: 503.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.14
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass502.96134
Monoisotopic Mass500.96339
Topological Polar Surface Area112 Ų
Heavy Atom Count26
Formal Charge0
Complexity502
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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