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Chemical structure of Talazoparib tosylate

GC37728

Talazoparib tosylate

Also known as (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;4-methylbenzenesulfonic acid

Talazoparib tosylate (BMN 673ts) is a potent and orally active PARP1/2 inhibitor, which is the tosylate salt form of Talazoparib· Talazoparib inhibits PARP1 with an IC50 value of 0·57 nM

ChemicalCAS1373431-65-2MW552.55FormulaC26H22F2N6O4S
CAS number
1373431-65-2
Molecular weight
552.55
Formula
C26H22F2N6O4S
Solubility
DMSO： ≥ 108 mg/mL (195·46 mM)
InChIKey
QUQKKHBYEFLEHK-QNBGGDODSA-N
Catalogue number
GC37728
Brand
GLPBIO
Computed properties PubChem CID 135565654 · TPSA 147 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
147 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
39

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CN1C(=NC=N1)[C@@H]2[C@H](NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 135565654), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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