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Lipoamido-PEG2-OH

CAT: 0804-HY-141337Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141337Size:1 Each
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Description
Lipoamido-PEG2-OH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1674386-82-3
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/lipoamido-peg2-oh.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCO)CCCCC1SSCC1
Molecular Formula
C14H27NO4S2
Molecular Weight
337.50
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

Lipoamido-PEG2-alcohol
CAS Number1674386-82-3
PubChem CID91757804
IUPAC Name5-(dithiolan-3-yl)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
Molecular FormulaC14H27NO4S2
Molecular Weight337.5
XLogP0.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count21
Formal Charge0
Complexity269
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCO
InChI
InChI=1S/C14H27NO4S2/c16-7-9-19-11-10-18-8-6-15-14(17)4-2-1-3-13-5-12-20-21-13/h13,16H,1-12H2,(H,15,17)
InChIKey
VTTNIUWBGVLVEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipoamido-PEG2-alcohol
CAS: 1674386-82-3
CID: 91757804
Formula: C14H27NO4S2
MW: 337.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.5
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass337.13815069
Monoisotopic Mass337.13815069
Topological Polar Surface Area118 Ų
Heavy Atom Count21
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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