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(2-Pyridyldithio) -PEG2-Boc

CAT: 0804-HY-141361-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141361-01Size:100 mg
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Description
(2-Pyridyldithio) -PEG2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2144777-73-9
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/2-pyridyldithio-peg2-boc.html
Purity
98.61
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCSSC1=NC=CC=C1
Molecular Formula
C16H25NO4S2
Molecular Weight
359.50
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
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

(2-pyridyldithio)-PEG2-t-butyl ester
CAS Number2144777-73-9
PubChem CID131709274
IUPAC Nametert-butyl 3-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]propanoate
Molecular FormulaC16H25NO4S2
Molecular Weight359.5
XLogP2.2
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count23
Formal Charge0
Complexity324
SMILES
CC(C)(C)OC(=O)CCOCCOCCSSC1=CC=CC=N1
InChI
InChI=1S/C16H25NO4S2/c1-16(2,3)21-15(18)7-9-19-10-11-20-12-13-22-23-14-6-4-5-8-17-14/h4-6,8H,7,9-13H2,1-3H3
InChIKey
NFTUEHOZCVWJPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-pyridyldithio)-PEG2-t-butyl ester
CAS: 2144777-73-9
CID: 131709274
Formula: C16H25NO4S2
MW: 359.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.5
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass359.12250063
Monoisotopic Mass359.12250063
Topological Polar Surface Area108 Ų
Heavy Atom Count23
Formal Charge0
Complexity324
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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