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Mal-amino-sulfo

CAT: 0931-T39055Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T39055Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158018-81-6
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Mal-amino-sulfo is a alkyl/ether-based linker for PROTACs which joins two essential ligands, crucial for forming PROTAC molecules. This linker enables selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
OS(=O)(=O)C1CC(=O)N(OC(=O)CCCN2C(=O)C=CC2=O)C1=O
Molecular Formula
C12H12N2O9S
Molecular Weight
360.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Maleimidobutyric acid sulfo-N-succinimidyl ester
CAS Number158018-81-6
PubChem CID3435098
IUPAC Name1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
Molecular FormulaC12H12N2O9S
Molecular Weight360.30
XLogP-1.7
Topological Polar Surface Area164
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity731
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O)S(=O)(=O)O
InChI
InChI=1S/C12H12N2O9S/c15-8-3-4-9(16)13(8)5-1-2-11(18)23-14-10(17)6-7(12(14)19)24(20,21)22/h3-4,7H,1-2,5-6H2,(H,20,21,22)
InChIKey
LCZVQHWMSQLWSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Maleimidobutyric acid sulfo-N-succinimidyl ester
CAS: 158018-81-6
CID: 3435098
Formula: C12H12N2O9S
MW: 360.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.30
XLogP3-1.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass360.02635114
Monoisotopic Mass360.02635114
Topological Polar Surface Area164 Ų
Heavy Atom Count24
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes