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Boc-N-PEG5-C2-NHS ester

CAT: 0804-HY-126381-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126381-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Boc-N-PEG5-C2-NHS ester is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].
CAS Number
2055040-78-1
UNSPSC
12352005
Hazard Statement
H302-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-n-peg5-c2-nhs-ester.html
Purity
96.91
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NCCOCCOCCOCCOCCOCCC(ON1C(CCC1=O)=O)=O
Molecular Formula
C22H38N2O11
Molecular Weight
506.54
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

t-Boc-N-amido-PEG5-NHS ester
CAS Number2055040-78-1
PubChem CID119058276
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC22H38N2O11
Molecular Weight506.5
XLogP-0.9
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Heavy Atom Count35
Formal Charge0
Complexity636
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C22H38N2O11/c1-22(2,3)34-21(28)23-7-9-30-11-13-32-15-17-33-16-14-31-12-10-29-8-6-20(27)35-24-18(25)4-5-19(24)26/h4-17H2,1-3H3,(H,23,28)
InChIKey
FCVPAOUCTNORCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-N-amido-PEG5-NHS ester
CAS: 2055040-78-1
CID: 119058276
Formula: C22H38N2O11
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Exact Mass506.24756003
Monoisotopic Mass506.24756003
Topological Polar Surface Area148 Ų
Heavy Atom Count35
Formal Charge0
Complexity636
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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