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Boc-NH-PEG4-MS

CAT: 0804-HY-140391-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140391-01Size:100 mg
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Description
Boc-NH-PEG4-MS is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1447797-72-9
UNSPSC
12352211
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/boc-nh-peg4-ms.html
Purity
98.00
Solubility
DMSO : ≥ 175 mg/mL
Smiles
CC(C)(C)OC(NCCOCCOCCOCCOS(C)(=O)=O)=O
Molecular Formula
C14H29NO8S
Molecular Weight
371.45
Precautions
H302, H315, H319, H335
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
PEG Linkers

Chemical Information

t-Boc-N-Amido-PEG4-Ms
CAS Number1447797-72-9
PubChem CID123132118
IUPAC Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Molecular FormulaC14H29NO8S
Molecular Weight371.45
XLogP-0.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count24
Formal Charge0
Complexity427
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C14H29NO8S/c1-14(2,3)23-13(16)15-5-6-19-7-8-20-9-10-21-11-12-22-24(4,17)18/h5-12H2,1-4H3,(H,15,16)
InChIKey
ALCCXXPVRZCVPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-Amido-PEG4-Ms
CAS: 1447797-72-9
CID: 123132118
Formula: C14H29NO8S
MW: 371.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.45
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass371.16138806
Monoisotopic Mass371.16138806
Topological Polar Surface Area118 Ų
Heavy Atom Count24
Formal Charge0
Complexity427
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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