Products for Research Use Only

Mal-NH-Boc

CAT: 0013-GTR19215782-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215782-01Size:100 mg
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Description
Mal-NH-Boc is an alkyl/ether linker used in constructing PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase ligand, enabling the study of protein function in both cellular and in vivo research models via the ubiquitin-proteasome system.
CAS Number
134272-63-2
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) NCCN1C (=O) C=CC1=O
Molecular Formula
C11H16N2O4
Molecular Weight
240.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Boc-2-Maleimidoethylamine
CAS Number134272-63-2
PubChem CID4176840
IUPAC Nametert-butyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
Molecular FormulaC11H16N2O4
Molecular Weight240.26
XLogP0.2
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity350
SMILES
CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O
InChI
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-6-7-13-8(14)4-5-9(13)15/h4-5H,6-7H2,1-3H3,(H,12,16)
InChIKey
SNYRFQCLCLMCCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-2-Maleimidoethylamine
CAS: 134272-63-2
CID: 4176840
Formula: C11H16N2O4
MW: 240.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.26
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass240.11100700
Monoisotopic Mass240.11100700
Topological Polar Surface Area75.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity350
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