Name: iRucaparib-AP6
Rating: 5 (10 reviews)

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HIT ID:HIT212672364
Cas No:2410557-00-3
常用名:iRucaparib-AP6
IUPAC:2-(2,6-dioxopiperidin-3-yl)-4-[23-(4-{6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraen-2-yl}phenyl)-22-methyl-4,7,10,13,16,19-hexaoxa-1,22-diazatricosan-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC:2-(2,6-dioxopiperidin-3-yl)-4-[23-(4-{6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraen-2-yl}phenyl)-22-methyl-4,7,10,13,16,19-hexaoxa-1,22-diazatricosan-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione
InChI key:YHMDCINUVWULST-UHFFFAOYSA-N

分子式:C46H55FN6O11
分子量:886.975
氢键供体数 (HBD):4
氢键受体数 (HBA):13
LogP:2.5226455
SMILES:CN(CCOCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)Cc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23
SMILES:CN(CCOCCOCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)Cc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23

iRucaparib-AP6, a non-trapping PARP1 degrader, blocks both the catalytic activity and scaffolding effects of PARP1. iRucaparib-AP6 is a highly efficient and specific PARP1 degrader based on Rucaparib by using the PROTAC approach.

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