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Biotin-PEG6-Mal

CAT: 0013-GTR19226597-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226597-02Size:500 mg
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Description
Biotin-PEG6-Mal is a polyethylene glycol-based linker used to construct bifunctional PROTAC molecules for targeted protein degradation. This reagent is widely applied in both in vitro biochemical assays and in vivo research to study protein function and therapeutic degradation strategies.
CAS Number
1808990-66-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCCC (NCCOCCOCCOCCOCCOCCOCCNC (CCN1C (=O) C=CC1=O) =O) =O) [C@H]2[C@@]3 ([C@] (CS2) (NC (=O) N3) [H]) [H]
Molecular Formula
C31H51N5O11S
Molecular Weight
701.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biotin-PEG6-Mal
CAS Number1808990-66-0
PubChem CID77078215
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-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC31H51N5O11S
Molecular Weight701.8
XLogP-2.3
Topological Polar Surface Area217
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count48
Formal Charge0
Complexity1020
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
InChI
InChI=1S/C31H51N5O11S/c37-26(4-2-1-3-25-30-24(23-48-25)34-31(41)35-30)32-8-11-42-13-15-44-17-19-46-21-22-47-20-18-45-16-14-43-12-9-33-27(38)7-10-36-28(39)5-6-29(36)40/h5-6,24-25,30H,1-4,7-23H2,(H,32,37)(H,33,38)(H2,34,35,41)/t24-,25-,30-/m0/s1
InChIKey
ILVNKONXZBFCPD-QRQMUESOSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG6-Mal
CAS: 1808990-66-0
CID: 77078215
Formula: C31H51N5O11S
MW: 701.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight701.8
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass701.33057863
Monoisotopic Mass701.33057863
Topological Polar Surface Area217 Ų
Heavy Atom Count48
Formal Charge0
Complexity1020
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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