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Dde Biotin-PEG4-Picolyl azide

CAT: 0804-HY-140917Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140917Size:10 mg
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Description
Dde Biotin-PEG4-Picolyl azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. Dde Biotin-PEG4-Picolyl 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
2055048-42-3
UNSPSC
12352005
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dde-biotin-peg4-picolyl-azide.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=C(CN=[N+]=[N-])N=C1)CCN/C(CCOCCOCCOCCOCCNC(CCCC[C@@H]2SC[C@]([C@]2([H])N3)([H])NC3=O)=O)=C4C(CC(C)(C)CC/4=O)=O
Molecular Formula
C38H57N9O9S
Molecular Weight
815.98
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

Dde Biotin-PEG4-Picolyl Azide
CAS Number2055048-42-3
PubChem CID137045447
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[3-[[6-(azidomethyl)-3-pyridinyl]amino]-3-oxopropyl]imino-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC38H57N9O9S
Molecular Weight816.0
XLogP0.9
Topological Polar Surface Area238
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count27
Heavy Atom Count57
Formal Charge0
Complexity1440
SMILES
CC1(CC(=C(C(=O)C1)C(=NCCC(=O)NC2=CN=C(C=C2)CN=[N+]=[N-])CCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)O)C
InChI
InChI=1S/C38H57N9O9S/c1-38(2)21-30(48)35(31(49)22-38)28(40-11-9-34(51)44-27-8-7-26(42-23-27)24-43-47-39)10-13-53-15-17-55-19-20-56-18-16-54-14-12-41-33(50)6-4-3-5-32-36-29(25-57-32)45-37(52)46-36/h7-8,23,29,32,36,48H,3-6,9-22,24-25H2,1-2H3,(H,41,50)(H,44,51)(H2,45,46,52)/t29-,32-,36-/m0/s1
InChIKey
DCSHIGVYFAFOCE-RHLYCORQSA-N
Chemical Structure
2D Structure
2D structure of Dde Biotin-PEG4-Picolyl Azide
CAS: 2055048-42-3
CID: 137045447
Formula: C38H57N9O9S
MW: 816.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight816.0
XLogP30.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count27
Exact Mass815.39999560
Monoisotopic Mass815.39999560
Topological Polar Surface Area238 Ų
Heavy Atom Count57
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count3
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
GTR19207977Picolyl-Azide-PEG4-Biotin
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GTR19226669-01Dde Biotin-PEG4-Picolyl azide
T78414-01Biotin-PEG4-dialkoxydiphenylsilane-picolyl azide
JBS-CLK-1167-25Picolyl-Azide-PEG4-Biotin (25 mg)
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JBS-CLK-1167-5Picolyl-Azide-PEG4-Biotin (5 mg)
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