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Mal-NH2 TFA

CAT: 0931-T15972-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T15972-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146474-00-2
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Mal-NH2 TFA is a alkyl chain-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
OC(=O)C(F)(F)F.NCCN1C(=O)C=CC1=O
Molecular Formula
C8H9F3N2O4
Molecular Weight
254.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CAS Number146474-00-2
PubChem CID16212752
IUPAC Name1-(2-aminoethyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
Molecular FormulaC8H9F3N2O4
Molecular Weight254.16
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
C1=CC(=O)N(C1=O)CCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C6H8N2O2.C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;3-2(4,5)1(6)7/h1-2H,3-4,7H2;(H,6,7)
InChIKey
YNHKVOGCDPODMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-(2-aminoethyl)maleimide, trifluoroacetate salt
CAS: 146474-00-2
CID: 16212752
Formula: C8H9F3N2O4
MW: 254.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight254.16
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass254.05144126
Monoisotopic Mass254.05144126
Topological Polar Surface Area101 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes