Name: R59949
Rating: 5 (10 reviews)

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HIT ID:HIT212711223
Cas No:120166-69-0
常用名:R59949
别名:R-59949, R 59949
IUPAC:3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
IUPAC:3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
InChI key:ZCNBZFRECRPCKU-UHFFFAOYSA-N

分子式:C28H25F2N3OS
分子量:489.58
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:4.999959
SMILES:Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(-9.34,8.47,;-9.34,6.93,;-10.67,6.16,;-10.67,4.62,;-9.34,3.85,;-8,4.62,;-8,6.16,;-9.34,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,1.54,;-6.67,2.31,;-10.67,1.54,;-10.67,,;-12,-.77,;-13.34,,;-14.67,-.77,;-13.34,1.54,;-12,2.31,)|
SMILES:Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(-9.34,8.47,;-9.34,6.93,;-10.67,6.16,;-10.67,4.62,;-9.34,3.85,;-8,4.62,;-8,6.16,;-9.34,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-5.33,1.54,;-6.67,2.31,;-10.67,1.54,;-10.67,,;-12,-.77,;-13.34,,;-14.67,-.77,;-13.34,1.54,;-12,2.31,)|

R59949 是一种泛二酰甘油激酶(DGK)抑制剂，IC50为 300 nM。它通过提高内源性配体二酰甘油水平来激活蛋白激酶 C(PKC)。它强烈抑制 Ⅰ 型 DGKα 和 γ 的活性，中度减弱 Ⅱ 型 DGKθ 和 κ 的活性。

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