Name: RBN012759
Rating: 5 (10 reviews)

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HIT ID:HIT212659454
Cas No:2360851-29-0
常用名:RBN012759
IUPAC:7-(cyclopropylmethoxy)-5-fluoro-2-({[(1r,4r)-4-hydroxycyclohexyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
IUPAC:7-(cyclopropylmethoxy)-5-fluoro-2-({[(1r,4r)-4-hydroxycyclohexyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
InChI key:NKZDEFKPZSLQRF-MQMHXKEQSA-N

分子式:C19H23FN2O3S
分子量:378.46
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.357619
SMILES:O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |wU:1.0,wD:4.7,(-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.11,3.64,;10.88,2.31,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|
SMILES:O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |wU:1.0,wD:4.7,(-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;8,1.54,;9.34,2.31,;10.11,3.64,;10.88,2.31,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

RBN012759 是选择性和具有口服活性的 PARP14抑制剂，其IC50值为 0.003 μM，可降低促肿瘤巨噬细胞功能并在肿瘤外植体中引发炎症反应，并且对所有 PARP 家族成员的选择性超过 300 倍。[2]

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