Name: Androgen receptor antagonist 1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686898
Cas No:1338812-36-4
常用名:Androgen receptor antagonist 1
别名:雄激素受体拮抗剂 1
IUPAC:1-(2-hydroxyethyl)-N-[(1r,3r)-3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1H-pyrazole-4-carboxamide
IUPAC:1-(2-hydroxyethyl)-N-[(1r,3r)-3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1H-pyrazole-4-carboxamide
InChI key:HJJNHDLYWZTKGQ-WGSAOQKQSA-N

分子式:C21H25ClN4O3
分子量:416.91
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.9007897
SMILES:CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |wU:3.3,wD:18.20,(.15,-5.8,;-.94,-4.71,;-2.03,-5.8,;.15,-3.62,;1.69,-3.62,;2.46,-2.29,;1.69,-.96,;4,-2.29,;4.9,-3.54,;6.37,-3.06,;6.37,-1.52,;7.61,-.62,;9.02,-1.24,;10.26,-.34,;4.9,-1.04,;-.94,-2.54,;-1.75,-1.22,;-.14,-1.22,;-2.03,-3.62,;-3.57,-3.62,;-4.34,-4.96,;-3.57,-6.29,;-4.34,-7.63,;-5.88,-7.63,;-6.65,-8.96,;-7.42,-10.29,;-6.65,-6.29,;-8.19,-6.29,;-5.88,-4.96,)|
SMILES:CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |wU:3.3,wD:18.20,(.15,-5.8,;-.94,-4.71,;-2.03,-5.8,;.15,-3.62,;1.69,-3.62,;2.46,-2.29,;1.69,-.96,;4,-2.29,;4.9,-3.54,;6.37,-3.06,;6.37,-1.52,;7.61,-.62,;9.02,-1.24,;10.26,-.34,;4.9,-1.04,;-.94,-2.54,;-1.75,-1.22,;-.14,-1.22,;-2.03,-3.62,;-3.57,-3.62,;-4.34,-4.96,;-3.57,-6.29,;-4.34,-7.63,;-5.88,-7.63,;-6.65,-8.96,;-7.42,-10.29,;-6.65,-6.29,;-8.19,-6.29,;-5.88,-4.96,)|

Androgen receptor antagonist 1 是一种口服活性的雄激素受体 (AR) 完全拮抗剂，其 IC50 值为 59 nM，对 AR 信号通路的高效抑制能力。Androgen receptor antagonist 1 还可用于合成 PROTAC AR 降解剂，通过诱导靶蛋白降解，在 LNCaP 细胞中,分别于 1 μM 和 10 μM 浓度实现 AR 蛋白降低 24% 和 47%，在前列腺癌研究中具有重要应用价值。

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~