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]-
![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]- Structure](CAS/20210111/GIF/1551355-46-4.gif)
- CAS No.
- 1551355-46-4
- Chemical 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]-
- Synonyms
- 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]-
- CBNumber:
- CB38347953
- Molecular Formula:
- C23H18F4N6O2
- Molecular Weight:
- 486.42
- MDL Number:
- MOL File:
- 1551355-46-4.mol
- MSDS File:
- SDS
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]- 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 |
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]- price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| ChemScene | CS-0087702 | Simmiparib 99.01% | 1551355-46-4 | 5mg | $379 | 2026-06-04 | Buy |
| ChemScene | CS-0087702 | Simmiparib 99.01% | 1551355-46-4 | 10mg | $628 | 2026-06-04 | Buy |
| ChemScene | CS-0087702 | Simmiparib 99.01% | 1551355-46-4 | 25mg | $1192 | 2026-06-04 | Buy |
| ChemScene | CS-0087702 | Simmiparib 99.01% | 1551355-46-4 | 50mg | $1842 | 2026-06-04 | Buy |
| ChemScene | CS-0087702 | Simmiparib 99.01% | 1551355-46-4 | 100mg | $2903 | 2026-06-04 | Buy |
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]- Chemical Properties, Uses, Production
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 8mg/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 8mg/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)
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
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]- Preparation Products And Raw materials
Raw materials
Preparation Products
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]- Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Guangzhou Jiuzhi Pharmaceutical Technology Co., Ltd. | 020-89854820 | sales@jzpharma.cn | China | 1550 | 58 |
| Shanghai Dexuan Pharmaceutical Technology Co., Ltd | dexuanyiyao@126.com | dexuanyiyao@126.com | China | 9470 | 58 |
| Shenzhen Roark Pharma-Tec Co., Ltd. | 13128912434 | 2880126944@qq.com | China | 3159 | 58 |
| Changzhou Borl Biotechnology Co.,LTD | 13656121842 | luyan0021@163.com | China | 265 | 58 |
| TargetMol Chemicals Inc. | 4008200310 15002144251 | marketing@tsbiochem.com | China | 24951 | 58 |
| Shanghai Yifei Biotechnology Co. , Ltd. | 021-65675885 18964387627 | customer_service@efebio.com | China | 11963 | 58 |
| https://hanhongsci.com/ | 021-54306202 18917919676 | info@hanhongsci.com | China | 29982 | 58 |
| RD International Technology Co., Limited | 18024082417 | market@ubiochem.com | China | 9831 | 58 |
| Shanghai Amole Biotechnology Co., Ltd. | 13370042665 18916960931 | 2596183085@qq.com | China | 17234 | 58 |
| Guangzhou Ruidi Biotechnology Co., Ltd. | 020-82099279 18988941402 | sales@ubiochem.com | China | 9998 | 58 |
View Latest Price from 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]- manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-07-27 | Simmiparib
1551355-46-4
|
$117.00 | 99.05% | 10g | TargetMol Chemicals Inc. |
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- Simmiparib
1551355-46-4
- $117.00
- 99.05%
- TargetMol Chemicals Inc.
