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Mal-amido-PEG8-TFP ester

CAT: 0804-HY-140979-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140979-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mal-amido-PEG8-TFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1924596-31-5
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-amido-peg8-tfp-ester.html
Solubility
10 mM in DMSO
Smiles
O=C(OC1=C(F)C(F)=CC(F)=C1F)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(CCN2C(C=CC2=O)=O)=O
Molecular Formula
C32H44F4N2O13
Molecular Weight
740.69
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-amido-PEG8-TFP ester
CAS Number1924596-31-5
PubChem CID91757745
IUPAC Name(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC32H44F4N2O13
Molecular Weight740.7
XLogP-0.7
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count32
Heavy Atom Count51
Formal Charge0
Complexity1000
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F
InChI
InChI=1S/C32H44F4N2O13/c33-24-23-25(34)31(36)32(30(24)35)51-29(42)4-7-43-9-11-45-13-15-47-17-19-49-21-22-50-20-18-48-16-14-46-12-10-44-8-5-37-26(39)3-6-38-27(40)1-2-28(38)41/h1-2,23H,3-22H2,(H,37,39)
InChIKey
YQFZOPSEPCSFQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-amido-PEG8-TFP ester
CAS: 1924596-31-5
CID: 91757745
Formula: C32H44F4N2O13
MW: 740.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight740.7
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count17
Rotatable Bond Count32
Exact Mass740.27795211
Monoisotopic Mass740.27795211
Topological Polar Surface Area167 Ų
Heavy Atom Count51
Formal Charge0
Complexity1000
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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