ChemicalBook CAS DataBase List 1551355-46-4

1551355-46-4

Name	1(2H)-Phthalazinone, 4-[[3-[[5,6-dihydro-5-methyl-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl]-4-fluorophenyl]methyl]-
CAS	1551355-46-4
Molecular Formula	C23H18F4N6O2
Molecular Weight	486.42
MOL File	1551355-46-4.mol

Chemical Properties

density	1.56±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 100 mg/mL (205.58 mM; ultrasonic and warming and heat to 60°C)
form	Solid
pka	12.06±0.40(Predicted)
color	White to off-white

Hazard Information

Uses

Simmiparib is a highly potent and orally active PARP1 and PARP2 inhibitor with IC50 values of 1.75 nM and 0.22 nM, respectively. Simmiparib has more potent PARP1/2 inhibition than its parent Olaparib (HY-10162). Simmiparib induces DNA double-strand breaks (DSB) accumulation and G2/M arrest in homologous recombination repair (HR)-deficient cells, thereby inducing apoptosis. Simmiparib exhibits remarkable anticancer activities in cells and nude mice bearing xenografts[1].

in vivo

Simmiparib (2, 4 and 8 mg/kg; p.o.; qd, for 14 days) inhibits the growth of tumor in V-C8 (BRCA2^-/-) and MDA-MB-436 (BRCA2^-/-) xenograft mice models^[1].
Simmiparib (10 and 50 mg/kg; p.o.; qd, for 42 days) inhibits the growth of BRCA1-mutated breast cancer in xenograft mice model^[1].

Animal Model:	Female BALB/cA nude mice (Subcutaneously injected with BRCA2^-/- V-C8 cells and BRCA2^-/- MDA-MB-436 cells)^[1]
Dosage:	2, 4 and 8 mg/kg
Administration:	p.o.; qd, for 14 days
Result:	Apparently inhibited the growth of the V-C8 tumor with an inhibition rate of 74.53% at 8?mg/kg. Suppressed the growth of the BRCA1-deficient MDA-MB-436 xenografts in a dose-dependent manner with its average inhibition rates of 64.93, 82.98 and 85.79% at 2, 4 and 8?mg/kg. Did not cause significant loss of body weight.

Animal Model:	Female BALB/cA nude mice (Subcutaneously injected with cancer cells derived from BRCA1-mutated BR-05-0028 breast cancer tissue)^[1]
Dosage:	10 and 50 mg/kg
Administration:	p.o.; qd, for 42 days
Result:	Elicited dose-dependent growth inhibition with the inhibition rate of 76.73% and 93.82% at 10 mg/kg and 50 mg/kg, respectively.

IC 50

PARP1: 0.74 nM (IC₅₀); PARP2: 0.22 nM (IC₅₀)

storage

Store at -20°C

References

[1] Yuan B, et al. Poly(ADP-ribose)polymerase (PARP) inhibition and anticancer activity of simmiparib, a new inhibitor undergoing clinical trials. Cancer Lett. 2017 Feb 1;386:47-56. DOI:10.1016/j.canlet.2016.11.010

Spectrum Detail

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