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N-Mal-N-bis (PEG4-amine)

CAT: 0013-GTR19226278-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226278-01Size:100 mg
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Description
N-Mal-N-bis (PEG4-amine) is a heterobifunctional PEG linker commonly used in constructing PROTAC molecules for targeted protein degradation. Its application supports both in vitro biochemical assays and in vivo studies in preclinical research, facilitating the exploration of novel therapeutic strategies.
CAS Number
2128735-22-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1C=CC (=O) N1CCC (=O) N (CCOCCOCCOCCOCCN) CCOCCOCCOCCOCCN
Molecular Formula
C27H50N4O11
Molecular Weight
606.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Mal-N-bis(PEG4-amine)
CAS Number2128735-22-6
PubChem CID129627644
IUPAC NameN,N-bis[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular FormulaC27H50N4O11
Molecular Weight606.7
XLogP-4.1
Topological Polar Surface Area184
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Heavy Atom Count42
Formal Charge0
Complexity682
SMILES
C1=CC(=O)N(C1=O)CCC(=O)N(CCOCCOCCOCCOCCN)CCOCCOCCOCCOCCN
InChI
InChI=1S/C27H50N4O11/c28-4-9-35-13-17-39-21-23-41-19-15-37-11-7-30(25(32)3-6-31-26(33)1-2-27(31)34)8-12-38-16-20-42-24-22-40-18-14-36-10-5-29/h1-2H,3-24,28-29H2
InChIKey
BDXSPBURFXDTTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Mal-N-bis(PEG4-amine)
CAS: 2128735-22-6
CID: 129627644
Formula: C27H50N4O11
MW: 606.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.7
XLogP3-4.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count31
Exact Mass606.34760842
Monoisotopic Mass606.34760842
Topological Polar Surface Area184 Ų
Heavy Atom Count42
Formal Charge0
Complexity682
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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