Structure

Biotin-Thalidomide

CAS
2230857-87-9
Catalog Number
ACM-MG-2230857879
Category
Molecular Glues
Molecular Weight
945.09
Molecular Formula
C44H64N8O13S

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Specification

Description
Biotin-Thalidomide is a cereblon affinity probe for PROTAC and targeted protein degradation research.
IUPAC Name
N'-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]pentanediamide
SMILES
O=C1C2=C(OCC(NCCCCNC(CCCC(NCCCOCCOCCOCCCNC(CCCC[C@H]3[C@]4([H])[C@](NC(N4)=O)([H])CS3)=O)=O)=O)=O)C=CC=C2C(N1C5C(NC(CC5)=O)=O)=O
InChI
InChI=1S/C44H64N8O13S/c53-34(12-2-1-11-33-40-30(28-66-33)49-44(61)51-40)46-19-7-21-62-23-25-64-26-24-63-22-8-20-47-36(55)14-6-13-35(54)45-17-3-4-18-48-38(57)27-65-32-10-5-9-29-39(32)43(60)52(42(29)59)31-15-16-37(56)50-41(31)58/h5,9-10,30-31,33,40H,1-4,6-8,11-28H2,(H,45,54)(H,46,53)(H,47,55)(H,48,57)(H2,49,51,61)(H,50,56,58)/t30-,31?,33-,40-/m0/s1
InChI Key
UCTZYEDSVDZJQR-NTZPKYJMSA-N
Appearance
White to off-white solid
Shipping
Generally, shipped at room temperature in continental US; may vary elsewhere.
Storage Conditions
Store at 4 °C

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