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NH-bis (PEG2-C2-Boc)

CAT: 0804-HY-140256-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140256-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NH-bis (PEG2-C2-Boc) is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1964503-36-3
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/nh-bis-peg2-c2-boc.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCNCCOCCOCCC(OC(C)(C)C)=O
Molecular Formula
C22H43NO8
Molecular Weight
449.58
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
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers

Chemical Information

NH-bis(PEG2-t-butyl ester)
CAS Number1964503-36-3
PubChem CID123132149
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethylamino]ethoxy]ethoxy]propanoate
Molecular FormulaC22H43NO8
Molecular Weight449.6
XLogP0.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count31
Formal Charge0
Complexity429
SMILES
CC(C)(C)OC(=O)CCOCCOCCNCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C22H43NO8/c1-21(2,3)30-19(24)7-11-26-15-17-28-13-9-23-10-14-29-18-16-27-12-8-20(25)31-22(4,5)6/h23H,7-18H2,1-6H3
InChIKey
AFSYLABPPWEICE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH-bis(PEG2-t-butyl ester)
CAS: 1964503-36-3
CID: 123132149
Formula: C22H43NO8
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass449.29886733
Monoisotopic Mass449.29886733
Topological Polar Surface Area102 Ų
Heavy Atom Count31
Formal Charge0
Complexity429
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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