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DNP-NH-PEG4-C2-Boc

CAT: 0804-HY-130491-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130491-01Size:25 mg
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Description
DNP-NH-PEG4-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1817735-31-1
UNSPSC
12352005
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/dnp-nh-peg4-c2-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
Molecular Formula
C21H33N3O10
Molecular Weight
487.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-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
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Alkyl/ether Linkers; PEG Linkers

Chemical Information

DNP-PEG4-t-butyl ester
CAS Number1817735-31-1
PubChem CID102514824
IUPAC Nametert-butyl 3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC21H33N3O10
Molecular Weight487.5
XLogP2.3
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count34
Formal Charge0
Complexity603
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C21H33N3O10/c1-21(2,3)34-20(25)6-8-30-10-12-32-14-15-33-13-11-31-9-7-22-18-5-4-17(23(26)27)16-19(18)24(28)29/h4-5,16,22H,6-15H2,1-3H3
InChIKey
RGSWKQPPFCMJEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNP-PEG4-t-butyl ester
CAS: 1817735-31-1
CID: 102514824
Formula: C21H33N3O10
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass487.21659426
Monoisotopic Mass487.21659426
Topological Polar Surface Area167 Ų
Heavy Atom Count34
Formal Charge0
Complexity603
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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