(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲

(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲

中文名称(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲
中文同义词(2R)-1-[[[4-氯-2-(脲基)苯氧基]甲基]羰基]-2-甲基-4-(4-氟苄基)哌嗪;(R)-1-[5-氯-2-[2-[4-(4-氟苄基)-2-甲基哌嗪-1-基]-2-氧代乙氧基]苯基]脲;化合物BX-471;BX 471,CCR1拮抗剂
英文名称Urea, N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)Methyl]-2-Methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-
英文同义词Urea, N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)Methyl]-2-Methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-;(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2-Methyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-urea;ZK811752 (BX471);(2R)-1-[[2-[(Aminocarbonyl)amino]-4-chlorophenoxy]acetyl]-4-[(4-fluorophenyl)methyl]-2-methylpiperazine ZK811752 (BX471);N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-urea;BX471(ZK-811752);Piperazine,1-[[2-[(aminocarbonyl)amino]-4-chlorophenoxy]acetyl]-4-[(4-fluorophenyl)methyl]-2-methyl-, (2R)-;(2R)-1-[[[4-Chloro-2-(ureido)phenoxy]methyl]carbonyl]-2-methyl-4-(4-fluorobenzyl)piperazine
CAS号217645-70-0
分子式C21H24ClFN4O3
分子量434.89
EINECS号
相关类别小分子抑制剂,天然产物;小分子抑制剂;抑制剂;Inhibitors
Mol文件217645-70-0.mol
结构式(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲 结构式

(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲 性质

沸点593.5±50.0 °C(Predicted)
密度1.346±0.06 g/cm3(Predicted)
储存条件Inert atmosphere,2-8°C
溶解度二甲基亚砜:≥25mg/mL
酸度系数(pKa)13.66±0.70(Predicted)
形态白色粉末
颜色白色至棕褐色

(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲 用途与合成方法

BX471 (ZK-811752) 是以一种口服有效的,选择性,非多肽的 CCR1 拮抗剂,Ki 值为 1 nM,对其选择性是对 CCR2,CCR5 和 CXCR4 的 250 倍。

MIP-1α-CCR1

1 nM (Ki)

RANTES-CCR1

2.8 nM (Ki)

MCP-3-CCR1

5.5 nM (Ki)

BX471 is a potent functional antagonist based on its ability to inhibit a number of CCR1-mediated effects including Ca 2+ mobilization, increase in extracellular acidification rate, CD11b expression, and leukocyte migration. BX471 demonstrats a greater than 10,000-fold selectivity for CCR1 compared with 28 G-protein-coupled receptors. BX471 is also able to displace 125 I-MIP-1α/CCL3 binding to mouse CCR1 in a concentration-dependent manner with a K i of 215±46 nM. Increasing concentrations of BX471 inhibits the Ca 2+ transients induced by MIP-1α/CCL3 in both human and mouse CCR1 with IC 50 of 5.8±1 nM and 198±7 nM, respectively. BX471 (0.1-10 μM) shows a dose-dependent inhibition of RANTES-mediated and shear-resistant adhesion on IL-1β-activated microvascular endothelium in shear flow in isolated blood monocytes. BX471 also inhibits the RANTES-mediated adhesion of T lymphocytes to activated endothelium.

BX471 (4 mg/kg, p.o. or i.v.) is orally active with a bioavailability of 60% in dogs. Furthermore, BX471 effectively reduces disease in a rat experimental allergic encephalomyelitis model of multiple sclerosis. BX471 (20 mg/kg, s.c.) reaches peak plasma levels of 9 μM by around 30 minutes, and this rapidly declines to approximately 0.4 μM after 2 hours. From 4 to 8 hours the drug plasma levels drops to 0.1 μM or lower. Mice treated with 20 mg/kg of BX471 for 10 days shows a reduction of interstitial CD45 positive leukocytes of approximately 55%. BX471 has a borderline significant effect on the number of CCR5-positive CD8 cells in the peripheral blood. BX471 reduces the amount of FSP1-positive cells by 65% in UUO kidneys as compared with vehicle control. Pretreatment witih BX471 reduces macrophage and neutrophil accumulation in kidney after ischemia-reperfusion injury.

安全信息

危险品标志Xn,N
危险类别码22-50
安全说明61
WGK Germany3
海关编码2933.59.8000

MSDS信息

更新日期产品编号产品名称CAS号包装价格
2024/01/16B6060BX 471
BX 471
217645-70-05mg295元
2024/01/16B6060BX 471
BX 471
217645-70-025mg1080元

(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲 上下游产品信息

"(R)-1-(5-氯-2-(2-(4-(4-氟苄基)-2-甲基哌嗪-1-基)-2-氧代乙氧基)苯基)脲"相关产品信息
ZM336372 ZM241385 ZM306416
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