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DNP-NH-PEG2-C2-acid

CAT: 0804-HY-130467-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130467-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DNP-NH-PEG2-C2-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].
CAS Number
1353011-89-8
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-peg2-c2-acid.html
Purity
95.57
Solubility
10 mM in DMSO
Smiles
O=C(O)CCOCCOCCNC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
Molecular Formula
C13H17N3O8
Molecular Weight
343.29
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

DNP-PEG2-acid
CAS Number1353011-89-8
PubChem CID60146188
IUPAC Name3-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]propanoic acid
Molecular FormulaC13H17N3O8
Molecular Weight343.29
XLogP1.4
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count24
Formal Charge0
Complexity422
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOCCOCCC(=O)O
InChI
InChI=1S/C13H17N3O8/c17-13(18)3-5-23-7-8-24-6-4-14-11-2-1-10(15(19)20)9-12(11)16(21)22/h1-2,9,14H,3-8H2,(H,17,18)
InChIKey
ZZALENBFHFRJPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DNP-PEG2-acid
CAS: 1353011-89-8
CID: 60146188
Formula: C13H17N3O8
MW: 343.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.29
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass343.10156451
Monoisotopic Mass343.10156451
Topological Polar Surface Area159 Ų
Heavy Atom Count24
Formal Charge0
Complexity422
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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