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APN-C3-PEG4-azide

CAT: 0804-HY-140841-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140841-01Size:5 mg
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Description
APN-C3-PEG4-azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. APN-C3-PEG4-azide is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. It can also undergo strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with molecules containing DBCO or BCN groups.
CAS Number
2183440-32-4
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-azide.html
Purity
98.56
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(C#CC#N)C=C1)CCCNC(CCOCCOCCOCCOCCN=[N+]=[N-])=O
Molecular Formula
C24H32N6O6
Molecular Weight
500.55
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

APN-C3-PEG4-azide
CAS Number2183440-32-4
PubChem CID131954367
IUPAC Name4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-(2-cyanoethynyl)phenyl]butanamide
Molecular FormulaC24H32N6O6
Molecular Weight500.5
XLogP1.3
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count36
Formal Charge0
Complexity787
SMILES
C1=CC(=CC=C1C#CC#N)NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C24H32N6O6/c25-10-1-3-21-5-7-22(8-6-21)29-24(32)4-2-11-27-23(31)9-13-33-15-17-35-19-20-36-18-16-34-14-12-28-30-26/h5-8H,2,4,9,11-20H2,(H,27,31)(H,29,32)
InChIKey
JKVJRGOKGCBEJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of APN-C3-PEG4-azide
CAS: 2183440-32-4
CID: 131954367
Formula: C24H32N6O6
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass500.23833276
Monoisotopic Mass500.23833276
Topological Polar Surface Area133 Ų
Heavy Atom Count36
Formal Charge0
Complexity787
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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CatalogName
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Alternative Products

CatalogName
T14310APN-C3-PEG4-azide
571747APN-C3-PEG4-alkyne
T17452-01APN-PEG4-PFP
T17451-01APN-PEG4-DBCO
MBS5770324APN-PEG4-BCN
T17453-01APN-PEG4-tetrazine
T17449-01APN-PEG4-Amine hydrochloride
T14308-01APN-C3-NH-Boc
TRC-A885250-500MGPEG4-azide

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