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HyNic-PEG2-DBCO

CAT: 0931-T207945-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207945-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2741281-12-7
Target
PROTAC Linker
Related Pathways
PROTAC
Bioactivity
HyNic-PEG2-DBCO is a PEG-based PROTAC linker utilized in the synthesis of PROTAC molecules. This click chemistry reagent contains a DBCO group, enabling it to engage in strain-promoted alkyne-azide cycloaddition (SPAAC) reactions with azide-containing molecules.
Smiles
O=C(NCCOCCOCCC(=O)NCCC(=O)N1C=2C=CC=CC2C#CC=3C=CC=CC3C1)C4=CN=C(C=C4)NN=C(C)C
Molecular Formula
C34H38N6O5
Molecular Weight
610.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

HyNic-PEG2-DBCO
CAS Number2741281-12-7
PubChem CID146673064
IUPAC NameN-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethyl]-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
Molecular FormulaC34H38N6O5
Molecular Weight610.7
XLogP2.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count45
Formal Charge0
Complexity1070
SMILES
CC(=NNC1=NC=C(C=C1)C(=O)NCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C
InChI
InChI=1S/C34H38N6O5/c1-25(2)38-39-31-14-13-28(23-37-31)34(43)36-18-20-45-22-21-44-19-16-32(41)35-17-15-33(42)40-24-29-9-4-3-7-26(29)11-12-27-8-5-6-10-30(27)40/h3-10,13-14,23H,15-22,24H2,1-2H3,(H,35,41)(H,36,43)(H,37,39)
InChIKey
KOJXDHRRFSOTLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HyNic-PEG2-DBCO
CAS: 2741281-12-7
CID: 146673064
Formula: C34H38N6O5
MW: 610.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.7
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass610.29036833
Monoisotopic Mass610.29036833
Topological Polar Surface Area134 Ų
Heavy Atom Count45
Formal Charge0
Complexity1070
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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Alternative Products

CatalogName
HY-133498-01HyNic-PEG2-DBCO
GTR19260948-01Boc-HyNic-PEG2-DBCO
HY-136067-01DBCO-PEG4-HyNic
HY-133497-01HyNic-PEG2-TCO
HY-151834-01DBCO-PEG2-DBCO
GTR19260945-01Boc-HyNic-PEG2-alkyne
HY-133501Boc-HyNic-PEG2-N3
HY-164211DBCO-PEG2-OH
JH917381DBCO-PEG2-amine
OR1067258-01Methyltetrazine-PEG2-DBCO

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