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Biotin-PEG4-SH

CAT: 0804-HY-134704-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134704-01Size:5 mg
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Description
Biotin-PEG4-SH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2762393-22-4
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/biotin-peg4-sh.html
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NCCOCCOCCOCCOCCS)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Molecular Formula
C20H37N3O6S2
Molecular Weight
479.65
Precautions
H302, H315, H319, H335
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
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Biotin-PEG4-SH
CAS Number2762393-22-4
PubChem CID162642635
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-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC20H37N3O6S2
Molecular Weight479.7
XLogP-0.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count31
Formal Charge0
Complexity517
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCS)NC(=O)N2
InChI
InChI=1S/C20H37N3O6S2/c24-18(4-2-1-3-17-19-16(15-31-17)22-20(25)23-19)21-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30/h16-17,19,30H,1-15H2,(H,21,24)(H2,22,23,25)/t16-,17-,19-/m0/s1
InChIKey
NIJSULOOONHHJS-LNLFQRSKSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-SH
CAS: 2762393-22-4
CID: 162642635
Formula: C20H37N3O6S2
MW: 479.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.7
XLogP3-0.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass479.21237826
Monoisotopic Mass479.21237826
Topological Polar Surface Area133 Ų
Heavy Atom Count31
Formal Charge0
Complexity517
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