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Chemical structure of ARQ 531

GC31679

ARQ 531

Also known as (2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

ARQ 531 (MK-1026) is a reversible non-covalent and orally active inhibitor of Bruton’s Tyrosine Kinase (BTK), with IC50s of 0·85 nM and 0·39 nM for WT-BTK and C481S-BTK, respectively

ChemicalCAS2095393-15-8MW478.93FormulaC25H23ClN4O4
CAS number
2095393-15-8
Molecular weight
478.93
Formula
C25H23ClN4O4
Solubility
DMSO ： ≥ 50 mg/mL (104·40 mM)
InChIKey
JSFCZQSJQXFJDS-QAPCUYQASA-N
Catalogue number
GC31679
Brand
GLPBIO
Computed properties PubChem CID 129045720 · XLogP 4.3 · TPSA 109 Ų · H-bond donors 3
XLogP
4.3
TPSA
109 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34

SMILES C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)CO

Computed descriptors from PubChem (CID 129045720), 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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Pricing
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Documents
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