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Bis-Biotin-PEG23

CAT: 0804-HY-140929-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-140929-01Size:5 mg
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Description
Bis-Biotin-PEG23 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
293298-36-9
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/bis-biotin-peg23.html
Purity
97.77
Solubility
Methanol : 125 mg/mL (ultrasonic)
Smiles
O=C1NC2C(CSC2CCCCC(NCCOCCOCCNC(CCCCC3SCC(N4)C3NC4=O)=O)=O)N1.[22]
Molecular Formula
C68H128N6O27S2
Molecular Weight
1525.90
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, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

CID 58725635
CAS Number293298-36-9
PubChem CID58725635
IUPAC Name5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC26H44N6O6S2
Molecular Weight600.8
XLogP-0.4
Topological Polar Surface Area210
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count40
Formal Charge0
Complexity802
SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)NC(=O)N2
InChI
InChI=1S/C26H44N6O6S2/c33-21(7-3-1-5-19-23-17(15-39-19)29-25(35)31-23)27-9-11-37-13-14-38-12-10-28-22(34)8-4-2-6-20-24-18(16-40-20)30-26(36)32-24/h17-20,23-24H,1-16H2,(H,27,33)(H,28,34)(H2,29,31,35)(H2,30,32,36)
InChIKey
RFBDICOMYQOCQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 58725635
CAS: 293298-36-9
CID: 58725635
Formula: C26H44N6O6S2
MW: 600.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.8
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass600.27637549
Monoisotopic Mass600.27637549
Topological Polar Surface Area210 Ų
Heavy Atom Count40
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T18163-01M-PEG23-alcohol
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