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

CAT: 0804-HY-140573Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Mal-N-bis (PEG4-amine) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2128735-22-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/n-mal-n-bis-peg4-amine.html
Solubility
10 mM in DMSO
Smiles
O=C(N(CCOCCOCCOCCOCCN)CCOCCOCCOCCOCCN)CCN1C(C=CC1=O)=O
Molecular Formula
C27H50N4O11
Molecular Weight
606.71
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

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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