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Chemical structure of Niraparib tosylate hydrate

GC74782

Niraparib tosylate hydrate

Also known as 4-methylbenzenesulfonic acid;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;hydrate

Niraparib (MK-4827) tosylate hydrate is a highly potent and orally bioavailable PARP1 and PARP2 inhibitor with IC50s of 3·8 and 2·1 nM, respectively

ChemicalCAS1613220-15-7MW510.61FormulaC26H30N4O5S
CAS number
1613220-15-7
Molecular weight
510.61
Formula
C26H30N4O5S
Solubility
DMSO： 50 mg/mL (97·92 mM; Need ultrasonic)
InChIKey
ACNPUCQQZDAPJH-FMOMHUKBSA-N
Catalogue number
GC74782
Brand
GLPBIO
Computed properties PubChem CID 74763937 · TPSA 137 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
137 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.O

Computed descriptors from PubChem (CID 74763937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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