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Biotin-PEG6-Thalidomide

CAT: 0013-GTR19225851-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225851-02Size:500 mg
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Description
Biotin-PEG6-Thalidomide is a heterobifunctional PROTAC linker incorporating a PEG spacer. It is utilized in targeted protein degradation research, facilitating the study of cereblon (CRBN) -dependent protein knockdown in both cellular and in vivo experimental models.
CAS Number
2144775-48-2
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1N (C (=O) C=2C1=CC=CC2) C3C (=O) N (CCOCCOCCOCCOCCOCCOCCNC (CCCC[C@H]4[C@@]5 ([C@] (CS4) (NC (=O) N5) [H]) [H]) =O) C (=O) CC3
Molecular Formula
C37H53N5O12S
Molecular Weight
791.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Biotin-PEG6-Thalidomide
CAS Number2144775-48-2
PubChem CID146026257
IUPAC Name5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC37H53N5O12S
Molecular Weight791.9
XLogP-0.7
Topological Polar Surface Area226
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Heavy Atom Count55
Formal Charge0
Complexity1270
SMILES
C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4[C@H]5[C@@H](CS4)NC(=O)N5
InChI
InChI=1S/C37H53N5O12S/c43-31(8-4-3-7-30-33-28(25-55-30)39-37(48)40-33)38-11-13-49-15-17-51-19-21-53-23-24-54-22-20-52-18-16-50-14-12-41-32(44)10-9-29(36(41)47)42-34(45)26-5-1-2-6-27(26)35(42)46/h1-2,5-6,28-30,33H,3-4,7-25H2,(H,38,43)(H2,39,40,48)/t28-,29?,30-,33-/m1/s1
InChIKey
UCCXTWDQIINXHE-QSCAEMQVSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG6-Thalidomide
CAS: 2144775-48-2
CID: 146026257
Formula: C37H53N5O12S
MW: 791.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.9
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count27
Exact Mass791.34114332
Monoisotopic Mass791.34114332
Topological Polar Surface Area226 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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