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1038915-73-9

1038915-73-9 Structure

1038915-73-9 Structure
IdentificationBack Directory
[Name]

MK-4827 (tosylate)
[CAS]

1038915-73-9
[Synonyms]

Niraparib TOS
Niraparib TsOH
Niraparib Tosylate
MK-4827 (tosylate)
MK-4827(Niraparib) tosylate
Niraparib(MK-4827) tosylate
MK-4827, Niraparib TsOH salt
niraparib p-toluenesulfonate
MK-4827 (tosylate) ISO 9001:2015 REACH
NIRAPARIB TOSYLATE;MK 4827 TOSYLATE;MK4827 TOSYLATE
(3S)-3-[4-[7-(Aminocarbonyl)-2H-indazol-2-yl]phenyl]piperidine tosylate
2H-Indazole-7-carboxamide,2-[4-[(3S)-3-piperidinyl]phenyl]-,4-methylbenzenesulfonate(1:1)
[Molecular Formula]

C26H28N4O4S
[MDL Number]

MFCD28167748
[MOL File]

1038915-73-9.mol
[Molecular Weight]

492.59
Chemical PropertiesBack Directory
[Melting point ]

>142oC (dec.)
[storage temp. ]

-20°C Freezer
[solubility ]

Methanol (Slightly)
[form ]

Solid
[color ]

Off-White to Pale Yellow
[InChIKey]

LCPFHXWLJMNKNC-XOIICWPPNA-N
[SMILES]

S(C1C=CC(C)=CC=1)(O)(=O)=O.C(C1=CC=CC2=CN(C3C=CC([C@H]4CNCCC4)=CC=3)N=C12)(=O)N |&1:23,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

Niraparib tosylate (MK-4827 tosylate) is a highly potent and orally bioavailable PARP1 and PARP2 inhibitor with an IC50 of 3.8 and 2.1 nM, respectively; with significant activity in cancer cells with mutant BRCA-1 and BRCA-2; >330-fold selective against PARP3, V-PARP, and Tank1. Niraparib tosylate leads to inhibition of repair of DNA damage, activates apoptosis, and shows anti-tumor activity.
[Uses]

Niraparib is a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.
[in vitro]

In a whole-cell assay, Niraparib (MK-4827) tosylate hydrate inhibits PARP activity with EC50=4 nM and EC90=45 nM. Niraparib tosylate hydrate inhibits the proliferation of cancer cells with mutant BRCA-1 and BRCA-2 with CC50 in the 10-100 nM range. Niraparib tosylate hydrate displays excellent PARP 1 and 2 inhibition with IC50=3.8 and 2.1 nM, respectively, and in a whole-cell assay. Niraparib tosylate hydrate inhibits PARP within 15 minutes of treatment, reaching about 85% inhibition in the A549 cells at 1 h and about 55% inhibition at 1 h for the H1299 cells.
Spectrum DetailBack Directory
[Spectrum Detail]

MK-4827 (tosylate)(1038915-73-9)1HNMR
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