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512177-83-2

中文名称 (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
英文名称 2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-
CAS 512177-83-2
分子式 C18H19ClFNO3
分子量 351.8
MOL 文件 512177-83-2.mol
更新日期 2024/06/25 17:15:56
512177-83-2 结构式 512177-83-2 结构式

基本信息

中文别名
(R)-4-乙酰基-1-(4-氯-2-氟苯基)-5-环己基-3-羟基-1H-吡咯-2(5H)-酮
(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
英文别名
187305
(R)-4-Acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-3-hydroxy-1H-pyrrol-2(5H)-one
(R)-4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
(5R)-4-Acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-2H-pyrrol-2-one
2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-

物理化学性质

沸点482.6±45.0 °C(Predicted)
密度1.383±0.06 g/cm3(Predicted)
储存条件-20°C储存
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
酸度系数(pKa)4.50±1.00(Predicted)
形态结晶固体
颜色White to off-white

图谱信息

图谱信息
(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(512177-83-2)核磁图(1HNMR)

常见问题列表

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”.

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