2. Cell Cycle/DNA Damage Epigenetics
  3. PARP
  4. Simmiparib

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.

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Simmiparib Chemical Structure

Simmiparib Chemical Structure

CAS No. : 1551355-46-4

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Based on 1 publication(s) in Google Scholar

Simmiparib Related Antibodies

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PARP PARP1 PARP2 PARP3 PARP4 TNKS1/PARP5A TNKS2/PARP5B PARP7 PARP10 PARP14 PARP15 PARP12 PARP16

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Description

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].

IC50 & Target[1]

PARP1

0.74 nM (IC50)

PARP2

0.22 nM (IC50)

In Vitro

Simmiparib (0-10 μM; 3 days) exhibits anti-proliferative activity against various cancer cells[1].
Simmiparib (0-10 μM; 48 h) induces typical G2/M arrest in Capan-1 cells[1].
Simmiparib (0.1-2 μM; 24 h) induces apoptosis in MDA-MB-436 and V-C8 (BRCA2-/-) cells, and increases dose-dependently the levels of γH2AX[1].
Simmiparib (1-10 μM; 48 h or 72 h) increases the phosphorylation levels of Chk1 and Chk2 and the protein levels of p-Cyclin B1 (S147), Cyclin B1, p-CDK1 (Y15) and CDK1[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Simmiparib Related Antibodies

Cell Proliferation Assay[1]

Cell Line: Various cancer cells harboring deficient BRCA1, BRCA2, PTEN and EWS-FLI1
Concentration: 0-10 μM
Incubation Time: 3 days
Result: Exhibited anti-proliferative activity against MDA-MB-436 (BRCA1-/-), RD-ES (EWS-FLI1), DoTc2-4510 (BRCA2-/-), Capan-1 (BRCA2-/-) and U251 (PTEN-/-) with IC50s of 0.2 nM, 4.6 nM, 20 nM, 21 nM and 36 nM, respectively.

Cell Cycle Analysis[1]

Cell Line: Capan-1 cells
Concentration: 0, 1, 3 and 10 μM
Incubation Time: 48 h
Result: Induced typical G2/M arrest in a concentration-dependent manner.

Apoptosis Analysis[1]

Cell Line: MDA-MB-436
Concentration: 0.1 and 1 μM
Incubation Time: 24 h
Result: Led to 39.64% and 42.98% apoptosis at 0.1 and 1 μM, respectively.
Increased dose-dependently the levels of γH2AX.

Apoptosis Analysis[1]

Cell Line: V-C8 (BRCA2-/-)
Concentration: 0.5 and 2 μM
Incubation Time: 24 h
Result: Caused more than 57% apoptosis.

Western Blot Analysis[1]

Cell Line: Capan-1
Concentration: 1 and 10 μM
Incubation Time: 48 h or 72 h
Result: Increased the phosphorylation levels of Chk1 and Chk2 but did not change the levels of the corresponding total proteins.
Increased the protein levels of p-Cyclin B1 (S147), Cyclin B1, p-CDK1 (Y15) and CDK1.
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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.
Clinical Trial
Molecular Weight

486.42

Formula

C23H18F4N6O2
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C1NN=C(CC2=CC=C(F)C(C(N3CC4=NN=C(C(F)(F)F)N4C(C)C3)=O)=C2)C5=C1C=CC=C5
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (205.58 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.0558 mL 10.2792 mL 20.5584 mL
5 mM 0.4112 mL 2.0558 mL 4.1117 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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In Vivo Dissolution Calculator
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Purity & Documentation
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.0558 mL 10.2792 mL 20.5584 mL 51.3959 mL
5 mM 0.4112 mL 2.0558 mL 4.1117 mL 10.2792 mL
10 mM 0.2056 mL 1.0279 mL 2.0558 mL 5.1396 mL
15 mM 0.1371 mL 0.6853 mL 1.3706 mL 3.4264 mL
20 mM 0.1028 mL 0.5140 mL 1.0279 mL 2.5698 mL
25 mM 0.0822 mL 0.4112 mL 0.8223 mL 2.0558 mL
30 mM 0.0685 mL 0.3426 mL 0.6853 mL 1.7132 mL
40 mM 0.0514 mL 0.2570 mL 0.5140 mL 1.2849 mL
50 mM 0.0411 mL 0.2056 mL 0.4112 mL 1.0279 mL
60 mM 0.0343 mL 0.1713 mL 0.3426 mL 0.8566 mL
80 mM 0.0257 mL 0.1285 mL 0.2570 mL 0.6424 mL
100 mM 0.0206 mL 0.1028 mL 0.2056 mL 0.5140 mL
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Simmiparib Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Simmiparib1551355-46-4PARPpoly ADP ribose polymeraseanticancerantitumorV-C8MDA-MB-436Capan-1PTENEWS-FLI1BRCA1BRCA2Inhibitorinhibitorinhibit

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