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Amino-PEG4-hydrazide-Boc

CAT: 0804-HY-140223-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140223-01Size:100 mg
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Description
Amino-PEG4-hydrazide-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1263047-17-1
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/amino-peg4-hydrazide-boc.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)NNC(CCOCCOCCOCCOCCN)=O
Molecular Formula
C16H33N3O7
Molecular Weight
379.45
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
PEG Linkers

Chemical Information

Amino-PEG4-t-Boc-Hydrazide
CAS Number1263047-17-1
PubChem CID51340924
IUPAC Nametert-butyl N-[3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]carbamate
Molecular FormulaC16H33N3O7
Molecular Weight379.45
XLogP-1.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count26
Formal Charge0
Complexity375
SMILES
CC(C)(C)OC(=O)NNC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C16H33N3O7/c1-16(2,3)26-15(21)19-18-14(20)4-6-22-8-10-24-12-13-25-11-9-23-7-5-17/h4-13,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKey
SJCNXVBYQPAENC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG4-t-Boc-Hydrazide
CAS: 1263047-17-1
CID: 51340924
Formula: C16H33N3O7
MW: 379.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.45
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass379.23185040
Monoisotopic Mass379.23185040
Topological Polar Surface Area130 Ų
Heavy Atom Count26
Formal Charge0
Complexity375
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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