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Mal-PEG3-Boc

CAT: 0804-HY-135169-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135169-01Size:100 mg
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Description
Mal-PEG3-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
518044-35-4
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-peg3-boc.html
Purity
97.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCN1C(C=CC1=O)=O
Molecular Formula
C17H27NO7
Molecular Weight
357.40
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

Mal-PEG3-t-butyl ester
CAS Number518044-35-4
PubChem CID77078456
IUPAC Nametert-butyl 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC17H27NO7
Molecular Weight357.4
XLogP-0.2
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C17H27NO7/c1-17(2,3)25-16(21)6-8-22-10-12-24-13-11-23-9-7-18-14(19)4-5-15(18)20/h4-5H,6-13H2,1-3H3
InChIKey
GBAIKTRBCFEELB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG3-t-butyl ester
CAS: 518044-35-4
CID: 77078456
Formula: C17H27NO7
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass357.17875220
Monoisotopic Mass357.17875220
Topological Polar Surface Area91.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
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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