226226-39-7
中文名稱
226226-39-7
英文名稱
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 結(jié)構(gòu)式
基本信息
中文別名
CCR2 ANTAGONIST 4 英文別名
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
物理化學(xué)性質(zhì)
沸點(diǎn)597.9±50.0 °C(Predicted)
密度1.37±0.1 g/cm3(Predicted)
儲(chǔ)存條件Desiccate at +4°C
溶解度二甲基亞砜：≥20mg/mL
酸度系數(shù)(pKa)12.94±0.46(Predicted)
形態(tài)粉末
顏色白色至棕褐色
常見(jiàn)問(wèn)題列表
生物活性
CCR2 antagonist 4 (Teijin compound 1) 是一種高效、特異的 CCR2 拮抗劑，對(duì) CCR2b 的 IC50 值為 180 nM。CCR2 antagonist 4 對(duì) MCP-1 誘導(dǎo)的趨化作用有較強(qiáng)的抑制作用，其 IC50 為 24 nM。靶點(diǎn)
|
CCR2b 180 nM (IC 50 ) |
體外研究
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.