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UV Cleavable Biotin-PEG2-Azide

CAT: 0804-HY-140920-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140920-01Size:10 mg
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Description
UV Cleavable Biotin-PEG2-Azide is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1]. UV Cleavable Biotin-PEG2-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
1192802-98-4
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/uv-cleavable-biotin-peg2-azide.html
Purity
95.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC(C1=CC=CC(OCC(NCCOCCOCCNC(CCCC[C@@H]2SC[C@]([C@]2([H])N3)([H])NC3=O)=O)=O)=C1)C(C4=CC=CC=C4)=O)CCCCCN=[N+]=[N-]
Molecular Formula
C38H51N7O9S
Molecular Weight
781.92
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

UV Cleavable Biotin-PEG2-Azide
CAS Number1192802-98-4
PubChem CID91757771
IUPAC Name[1-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]-2-oxo-2-phenylethyl] 6-azidohexanoate
Molecular FormulaC38H51N7O9S
Molecular Weight781.9
XLogP4
Topological Polar Surface Area210
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count55
Formal Charge0
Complexity1270
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)COC3=CC=CC(=C3)C(C(=O)C4=CC=CC=C4)OC(=O)CCCCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C38H51N7O9S/c39-45-42-17-8-2-5-16-34(48)54-37(36(49)27-10-3-1-4-11-27)28-12-9-13-29(24-28)53-25-33(47)41-19-21-52-23-22-51-20-18-40-32(46)15-7-6-14-31-35-30(26-55-31)43-38(50)44-35/h1,3-4,9-13,24,30-31,35,37H,2,5-8,14-23,25-26H2,(H,40,46)(H,41,47)(H2,43,44,50)/t30-,31-,35-,37?/m0/s1
InChIKey
JHYKDGNZEADRIH-ZPIGJYFOSA-N
Chemical Structure
2D Structure
2D structure of UV Cleavable Biotin-PEG2-Azide
CAS: 1192802-98-4
CID: 91757771
Formula: C38H51N7O9S
MW: 781.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight781.9
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass781.34689740
Monoisotopic Mass781.34689740
Topological Polar Surface Area210 Ų
Heavy Atom Count55
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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