中文名 | INCB8761(PF-4136309) |
英文名 | INCB8761(PF-4136309) |
别名 | 化合物PF4136309 N-(2-((S)-3-((TRANS-4-反式-4-羟基-4-(5-(嘧啶-2-基)吡啶-2-基)环己基)氨基)吡咯烷-1-基)-2-OXOETHYL)-3-(三氟甲基)苯甲酰胺 |
英文别名 | EOS-61910 NCB8761(PF-4136309) INCB8761(PF-4136309) PF-04136309(INCB-8761) ZNSVOHSYDRPBGI-LXWOLXCRSA-N N-(2-((S)-3-(((1R,4S)-4-HYDROXY-4-(5-(PYRIMIDIN-2-YL) N-(2-((S)-3-(((1r,4S)-4-hydroxy-4-(5-(pyrimidin-2-yl) yridine-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide Benzamide, N-[2-[(3S)-3-[[trans-4-hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)- |
CAS | 1341224-83-6 |
化学式 | C29H31F3N6O3 |
分子量 | 568.59 |
密度 | 1.40±0.1 g/cm3(Predicted) |
沸点 | 712.2±60.0 °C(Predicted) |
溶解度 | 溶于DMSO (至少25 mg/ml) |
酸度系数 | 13.17±0.46(Predicted) |
存储条件 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
稳定性 | 从提供的购买之日起稳定1年。DMSO中的溶液可以在-20 °C下储存长达3个月。 |
外观 | 固体 |
颜色 | Off-white |
体外研究 | PF-4136309 is potent in human chemotaxis activity (IC 50 =3.9 nM) and in the whole blood assay (IC 50 =19 nM), with IC 50 of 16 and 2.8 nM in mouse and rat chemotaxis assays. PF-4136309 is potent in inhibiting CCR2 mediated signaling events such as intracellular calcium mobilization and ERK (extracellular signal-regulated kinase) phosphorylation with IC 50 values of 3.3 and 0.5 nM, respectively. In hERG patch clamp assay, PF-4136309 inhibits hERG potassium current with an IC 50 of 20 μM. PF-4136309 is not a cytochrome P450 (CYP) inhibitor, with IC 50 values of >30 μM against five major CYP isozymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. Moreover, PF-4136309 is not a CYP inducer at concentrations up to 30 μM. |
体内研究 | PF-4136309 (2 mg/kg) exhibits a moderate half-life in both species after iv administration (2.5 and 2.4 h). When administered orally, PF-4136309 (10 mg/kg) is absorbed rapidly, with peak concentration time (T max ) at 1.2 h for rats and 0.25 h for dogs. A similar half-life is observed in both species between iv dosing and po dosing. PF-4136309 is well absorbed, with an oral bioavailability of 78% in both species. |
上游原料 | PF-04136309中间体 PF-04136309中间体 (S)-N-(2-(3-氨基吡咯烷-1-基)-2-氧代乙基)-3-(三氟甲基)苯甲酰胺盐酸盐 1,4-环己二酮单乙二醇缩酮 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 1.759 ml | 8.794 ml | 17.587 ml |
5 mM | 0.352 ml | 1.759 ml | 3.517 ml |
10 mM | 0.176 ml | 0.879 ml | 1.759 ml |
5 mM | 0.035 ml | 0.176 ml | 0.352 ml |
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