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APN-C3-PEG4-alkyne

CAT: 0804-HY-116025Size: 1 EachDry Ice: NoHazardous: No
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Description
APN-C3-PEG4-alkyne is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. APN-C3-PEG4-alkyne is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
2183440-36-8
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/apn-c3-peg4-alkyne.html
Solubility
10 mM in DMSO
Smiles
C#CCOCCOCCOCCOCCC(NCCCC(NC1=CC=C(C=C1)C#CC#N)=O)=O
Molecular Formula
C25H31N3O6
Molecular Weight
469.53
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

APN-C3-PEG4-alkyne
CAS Number2183440-36-8
PubChem CID131954363
IUPAC NameN-[4-(2-cyanoethynyl)phenyl]-4-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]butanamide
Molecular FormulaC25H31N3O6
Molecular Weight469.5
XLogP0.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Heavy Atom Count34
Formal Charge0
Complexity746
SMILES
C#CCOCCOCCOCCOCCC(=O)NCCCC(=O)NC1=CC=C(C=C1)C#CC#N
InChI
InChI=1S/C25H31N3O6/c1-2-14-31-16-18-33-20-21-34-19-17-32-15-11-24(29)27-13-4-6-25(30)28-23-9-7-22(8-10-23)5-3-12-26/h1,7-10H,4,6,11,13-21H2,(H,27,29)(H,28,30)
InChIKey
RDAQOUAJNYKTCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of APN-C3-PEG4-alkyne
CAS: 2183440-36-8
CID: 131954363
Formula: C25H31N3O6
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Exact Mass469.22128572
Monoisotopic Mass469.22128572
Topological Polar Surface Area119 Ų
Heavy Atom Count34
Formal Charge0
Complexity746
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

Related Products

CatalogName
HY-140841-01APN-C3-PEG4-azide
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HY-136045APN-PEG4-tetrazine
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HY-W692829Alkyne-PEG4-I
HY-136046-01PTAD-PEG4-alkyne
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Alternative Products

CatalogName
T14309-01APN-C3-PEG4-alkyne
T14310APN-C3-PEG4-azide
GTR19226028-01Alkyne-PEG4-SS-PEG4-alkyne
MD007007-4-01Alkyne-PEG4-Alkyne
T17452-01APN-PEG4-PFP
T17451-01APN-PEG4-DBCO
MBS5770324APN-PEG4-BCN
T17453-01APN-PEG4-tetrazine
PWK1701_25 mgFAM PEG4-Alkyne
BDD42489-01Desthiobiotin-PEG4-alkyne

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