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Chemical structure of XL01126

GC73147

XL01126

Also known as (2S,4R)-1-[(2R)-3-[[4-[[4-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxybenzoyl]piperazin-1-yl]methyl]cyclohexyl]methylsulfanyl]-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

XL01126 is a potent LRRK2 PROTAC (DC50: 14 nM (G2019S LRRK2) and 32 nM (WT LRRK2)) composed of the VHL ligand VH 101, thiol and the LRRK2 inhibitor HG-10-102-01

ChemicalCAS3011029-58-3MW1019.69FormulaC50H64ClFN10O6S2
CAS number
3011029-58-3
Molecular weight
1019.69
Formula
C50H64ClFN10O6S2
Solubility
DMSO ： ≥ 100 mg/mL (98·07 mM)
InChIKey
HKSBXNVKPFTBIG-WUEKOBJSSA-N
Catalogue number
GC73147
Brand
GLPBIO
Computed properties PubChem CID 165412689 · XLogP 6.3 · TPSA 248 Ų · H-bond donors 5
XLogP
6.3
TPSA
248 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
18
Heavy atoms
70

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)SCC4CCC(CC4)CN5CCN(CC5)C(=O)C6=CC(=C(C=C6)NC7=NC=C(C(=N7)NC)Cl)OC)NC(=O)C8(CC8)F)O

Computed descriptors from PubChem (CID 165412689), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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