Simmiparib

SKU: orb1686813

Description

Simmiparib (SMOCL-9112) is an Olaparib-derived PARP1/2 inhibitor that induces DNA double-strand breaks and cell cycle arrest in HR-deficient cells, leading to apoptosis. It has been investigated in preclinical studies for cancers like breast cancer and melanoma, as well as in research models for neurodegenerative conditions including Parkinson's and Alzheimer's disease.

Research Area

Cell Biology, Epigenetics & Chromatin, Molecular Biology

Key Properties

• CAS Number: 1551355-46-4
• MW: 486.42
• Purity: 99.51%
• Formula: C₂₃H₁₈F₄N₆O₂
• SMILES: CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
• Target: PARP,Apoptosis
• Solubility: DMSO:80 mg/mL (164.47 mM)

Bioactivity

• Target IC50:
  PARP2:0.22 nM|PARP1:0.74 nM
• In Vivo:
  In xenograft mouse models, Simmiparib inhibits the growth of tumors in V-C8 (BRCA2-/-) and MDA-MB-436 (BRCA2-/-) when administered orally at doses of 2, 4, and 8 mg/kg once daily for 14 days.Additionally, Simmiparib, at doses of 10 and 50 mg/kg administered orally once daily for 42 days, inhibits the growth of BRCA1-mutated breast cancer in xenograft mouse models.
• In Vitro:
  Simmiparib, when applied at concentrations ranging from 0 to 10 μM for 3 days, demonstrates anti-proliferative activity against various cancer cells. In Capan-1 cells, Simmiparib induces typical G2/M arrest when administered at concentrations of 0-10 μM for 48 hours. Apoptosis is induced in MDA-MB-436 and V-C8 (BRCA2-/-) cells by Simmiparib at concentrations of 0.1-2 μM for 24 hours. Additionally, there is a dose-dependent increase in the levels of γH2AX.Furthermore, treatment with Simmiparib at concentrations of 1-10 μM for 48 or 72 hours increases the phosphorylation levels of Chk1 and Chk2. Additionally, it enhances the protein levels of p-Cyclin B1 (S147), Cyclin B1, p-CDK1 (Y15), and CDK1.

Storage & Handling

• Storage: store at low temperature,keep away from direct sunlight,keep away from moisture | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

Apoptosis, PARP1, PARP2, SMOCL-9112

Compound Identifiers

PubChem CID

72736758