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Mal-PEG6-mal

CAT: 0804-HY-133353-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-133353-02Size:50 mg
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Description
Mal-PEG6-mal is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2752168-26-4
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/mal-peg6-mal.html
Solubility
10 mM in DMSO
Smiles
O=C(C=C1)N(CCOCCOCCOCCOCCOCCOCCN2C(C=CC2=O)=O)C1=O
Molecular Formula
C22H32N2O10
Molecular Weight
484.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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

Mal-PEG6-mal
CAS Number2752168-26-4
PubChem CID146026131
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
Molecular FormulaC22H32N2O10
Molecular Weight484.5
XLogP-2.1
Topological Polar Surface Area130
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count34
Formal Charge0
Complexity628
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C22H32N2O10/c25-19-1-2-20(26)23(19)5-7-29-9-11-31-13-15-33-17-18-34-16-14-32-12-10-30-8-6-24-21(27)3-4-22(24)28/h1-4H,5-18H2
InChIKey
GXEDYPGTUIAJRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG6-mal
CAS: 2752168-26-4
CID: 146026131
Formula: C22H32N2O10
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP3-2.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass484.20569522
Monoisotopic Mass484.20569522
Topological Polar Surface Area130 Ų
Heavy Atom Count34
Formal Charge0
Complexity628
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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FM72992-01Mal-PEG6-Mal
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