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Boc-NH-PEG2-C2-NHS ester

CAT: 0804-HY-141117-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141117-01Size:250 mg
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Description
Boc-NH-PEG2-C2-NHS ester is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2183440-73-3
UNSPSC
12352005
Hazard Statement
H315, H319
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-peg2-c2-nhs-ester.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CC(C)(C)OC(NCCOCCOCCC(ON1C(CCC1=O)=O)=O)=O
Molecular Formula
C16H26N2O8
Molecular Weight
374.39
Precautions
H315, H319
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, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers

Chemical Information

t-Boc-N-amido-PEG2-NHS ester
CAS Number2183440-73-3
PubChem CID23591747
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoate
Molecular FormulaC16H26N2O8
Molecular Weight374.39
XLogP-0.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
CC(C)(C)OC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C16H26N2O8/c1-16(2,3)25-15(22)17-7-9-24-11-10-23-8-6-14(21)26-18-12(19)4-5-13(18)20/h4-11H2,1-3H3,(H,17,22)
InChIKey
FNZXIPYAXFROBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-amido-PEG2-NHS ester
CAS: 2183440-73-3
CID: 23591747
Formula: C16H26N2O8
MW: 374.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.39
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass374.16891579
Monoisotopic Mass374.16891579
Topological Polar Surface Area120 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
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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