PARP1-IN-5 dihydrochloride

• CAT Number: I045387
• CAS Number: 2823308-89-8
• Molecular Formula: C25H26Cl2N2O5S
• Molecular Weight: 537.46
• Purity: ≥95%
• Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]chromen-4-one;dihydrochloride
• InChI: InChI=1S/C25H24N2O5S.2ClH/c28-17-5-3-16(4-6-17)23-13-22(31)24-21(30)12-20(29)19(25(24)32-23)15-27-9-7-26(8-10-27)14-18-2-1-11-33-18;;/h1-6,11-13,28-30H,7-10,14-15H2;2*1H
• InChIKey: VIXDSXSUYRPYIN-UHFFFAOYSA-N
• SMILES: C1CN(CCN1CC2=CC=CS2)CC3=C4C(=C(C=C3O)O)C(=O)C=C(O4)C5=CC=C(C=C5)O.Cl.Cl

PARP1-IN-5 dihydrochloride (Cat No.: I045387) is a potent and selective inhibitor of poly(ADP-ribose) polymerase 1 (PARP1), an enzyme critical for DNA repair via the base excision repair pathway. By inhibiting PARP1, this compound induces synthetic lethality in cancer cells with homologous recombination deficiencies, such as those with BRCA1/2 mutations. The dihydrochloride salt form enhances solubility and stability for experimental use. PARP1-IN-5 dihydrochloride is primarily utilized in preclinical cancer research to study DNA damage response mechanisms and develop targeted therapeutic strategies.

Reference

[1]. Long H, et al. Discovery of Novel Apigenin-Piperazine Hybrids as Potent and Selective Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors for the Treatment of Cancer. J Med Chem. 2021;64(16):12089-12108.
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