(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮

生物活性靶点体外研究

CAS号:512177-83-2
英文名:2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-
中文名:(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮
CBNumber:CB41871836
分子式:C18H19ClFNO3
分子量:351.8
MOL File:512177-83-2.mol

(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮化学性质

沸点 :482.6±45.0 °C(Predicted)
密度 :1.383±0.06 g/cm3(Predicted)
储存条件 :Store at -20°C
溶解度 :DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml; Ethanol: 1 mg/ml
形态 :A crystalline solid
酸度系数(pKa) :4.50±1.00(Predicted)

(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮性质、用途与生产工艺

生物活性 CCR2-RA-[R] 是C-C趋化因子受体2型 (C-C chemokine receptor type 2 (CCR2)) 的变构拮抗剂，IC50 值为103 nM。
靶点

CCR2

103 nM (IC ₅₀ , in U2OS-CCR2 cells)
体外研究

The chemokine receptor CCR2 is a G protein-coupled receptor that is involved in many diseases characterized by chronic inflammation, and therefore a large variety of CCR2 small molecule antagonists has been developed. CCR2-RA-[R] displaces [ ¹²⁵ I]CCL2 from CCR2 with an pIC ₅₀ value of 6.1. The pK _D of CCR2-RA-[R] for CCR2 and CCR5 is 8.8±0.1 and 7.0±0.1, respectively. CCR2-RA-[R] inhibits CCR2 non-competitively by blocking activation-associated conformational changes and formation of the G protein-binding interface. The binding pocket of CCR2-RA-[R] is highly enclosed and possesses a balanced combination of hydrophobic and polar features, all of which favors pocket “druggability”.

(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮上下游产品信息

上游原料

下游产品

(5R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-1,5-二氢-3-羟基-2H-吡咯-2-酮生产厂家

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