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Chemical structure of HaloPROTAC 2

GC32831

HaloPROTAC 2

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

HaloPROTAC 2 (HaloPROTAC 2) is a conjugate of ligands for E3 and 21-atom-length linker· The connector of linker is Halogen group· HaloPROTAC 2 incorporates the VH032 based VHL ligand and 5-unit PEG linker· HaloPROTAC 2 is capable of inducing the degradation of GFP-HaloTag7 in cell-based assays

ChemicalCAS1799506-06-1MW783.41FormulaC38H59ClN4O9S
CAS number
1799506-06-1
Molecular weight
783.41
Formula
C38H59ClN4O9S
Solubility
DMSO ： ≥ 50 mg/mL (63·82 mM)
InChIKey
ADYHVGXLTSRLTE-MEEYNGGZSA-N
Catalogue number
GC32831
Brand
GLPBIO
Computed properties PubChem CID 134694955 · XLogP 3.6 · TPSA 186 Ų · H-bond donors 3
XLogP
3.6
TPSA
186 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
27
Heavy atoms
53

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCCCCCCl)O

Computed descriptors from PubChem (CID 134694955), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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