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Boc-NH-PEG10-CH2CH2NH2

CAT: 0804-HY-135930-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135930-01Size:5 mg
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Description
Boc-NH-PEG10-CH2CH2NH2 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1347704-59-9
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-peg10-ch2ch2nh2.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C27H56N2O12
Molecular Weight
600.74
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
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

BocNH-PEG10-CH2CH2NH2
CAS Number1347704-59-9
PubChem CID137795123
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC27H56N2O12
Molecular Weight600.7
XLogP-1.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Heavy Atom Count41
Formal Charge0
Complexity541
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C27H56N2O12/c1-27(2,3)41-26(30)29-5-7-32-9-11-34-13-15-36-17-19-38-21-23-40-25-24-39-22-20-37-18-16-35-14-12-33-10-8-31-6-4-28/h4-25,28H2,1-3H3,(H,29,30)
InChIKey
QAZKCSDOOFBCPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BocNH-PEG10-CH2CH2NH2
CAS: 1347704-59-9
CID: 137795123
Formula: C27H56N2O12
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count34
Exact Mass600.38332523
Monoisotopic Mass600.38332523
Topological Polar Surface Area157 Ų
Heavy Atom Count41
Formal Charge0
Complexity541
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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