226226-39-7
中文名称
226226-39-7
英文名称
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride
CAS
226226-39-7
分子式
C21H21ClF3N3O2
分子量
439.86
MOL 文件
226226-39-7.mol
226226-39-7 结构式
基本信息
中文别名
CCR2 ANTAGONIST 4 英文别名
Teijin compound 1CCR2 antagonist 4
Teijin compound 1 hydrochloride
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
Benzamide, N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride
物理化学性质
沸点597.9±50.0 °C(Predicted)
密度1.37±0.1 g/cm3(Predicted)
储存条件Desiccate at +4°C
溶解度二甲基亚砜：≥20mg/mL
酸度系数(pKa)12.94±0.46(Predicted)
形态粉末
颜色白色至棕褐色
常见问题列表
生物活性
CCR2 antagonist 4 (Teijin compound 1) 是一种高效、特异的 CCR2 拮抗剂，对 CCR2b 的 IC50 值为 180 nM。CCR2 antagonist 4 对 MCP-1 诱导的趋化作用有较强的抑制作用，其 IC50 为 24 nM。靶点
|
CCR2b 180 nM (IC 50 ) |
体外研究
Ile263 and Thr292 in CCR2 contribute significantly to binding of Teijin compound 1 in CCR2. Residue Glu291 in TM7, a highly conserved residue in many CC chemokine receptors, contributes substantially to binding of the protonated CCR2 antagonist 4, and CCL2. His121 on TM3 and Ile263 on TM6 also strongly interact with CCR2 antagonist 4.
In ApoE-deficient mice, Vp-TSL targets specifically aortic plaque endothelial VCAM-1 and CCR2 antagonist 4 reduces the mouse monocyte/macrophage cell line (RAW 264.7) adhesion/ infiltration into the aorta.