(S,R,S)-AHPC-C2-PEG4-N3

(S, R, S)-AHPC-C2-PEG4-N3 (VH032-C2-PEG4-N3) is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S, R, S)-AHPC based VHL ligand and 4-unit PEG linker used in PROTAC technology. (S, R, S)-AHPC-C2-PEG4-N3 can be used in the synthesis of vRucaparib-TP4 (HY-130647). vRucaparib-TP4 a highly potent PARP1 degrader with a half-maximal degrading concentration (DC50) of 82 nM.

Product information

Molecular Weight: 703.85

Formula: C33H49N7O8S

Chemical Name: (2S, 4R)-1-[(2S)-2-(1-azido-3, 6, 9, 12-tetraoxapentadecan-15-amido)-3, 3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1, 3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

Smiles: CC1N=CSC=1C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(C)(C)C)C=C1

InChiKey: VACYAUOFOYGDSX-HRHHFINDSA-N

InChi: InChI=1S/C33H49N7O8S/c1-23-29(49-22-36-23)25-7-5-24(6-8-25)20-35-31(43)27-19-26(41)21-40(27)32(44)30(33(2,3)4)38-28(42)9-11-45-13-15-47-17-18-48-16-14-46-12-10-37-39-34/h5-8,22,26-27,30,41H,9-21H2,1-4H3,(H,35,43)(H,38,42)/t26-,27+,30-/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: Soluble in DMSO

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Wang S, et al. Uncoupling of PARP1 trapping and inhibition using selective PARP1 degradation. Nat Chem Biol. 2019 Dec;15(12):1223-1231.

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