2123489-30-3
中文名稱
ALLOSTERIC WNK KINASE INHIBITOR
英文名稱
Allosteric WNK Kinase Inhibitor ,
CAS
2123489-30-3
分子式
C21H21Cl2N5OS
分子量
462.4
MOL 文件
2123489-30-3.mol
更新日期
2024/12/23 09:08:14
2123489-30-3 結(jié)構(gòu)式
基本信息
中文別名
化合物WNK-IN-115-氯-2-[2-(甲氨基)-4-噻唑基]-4-吡啶基][4-[(4-氯苯基)甲基]-1-哌嗪基]-甲酮
英文別名
WNK-IN-11ALLOSTERIC WNK KINASE INHIBITOR
Allosteric WNK Kinase Inhibitor ,
WNK-IN-11
WNK IN 11
WNKIN11
WNK INHIBITOR 11
WNK INHIBITOR-11
2123489-30-3
(5-Chloro-2-(2-(methylamino)thiazol-4-yl)pyridin-4-yl)(4-(4-chlorobenzyl)piperazin-1-yl)methanone
Methanone, [5-chloro-2-[2-(methylamino)-4-thiazolyl]-4-pyridinyl][4-[(4-chlorophenyl)methyl]-1-piperazinyl]-
物理化學(xué)性質(zhì)
沸點(diǎn)641.1±65.0 °C(Predicted)
密度1.407±0.06 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:10): 0.1 mg/ml; DMSO: 25 mg/ml; Ethanol: 3 mg/ml
酸度系數(shù)(pKa)5.52±0.10(Predicted)
形態(tài)結(jié)晶固體
顏色White to off-white
常見問題列表
生物活性
WNK-IN-11 是一種有效的、具有選擇性的 With-No-Lysine (WNK) 的口服活性變構(gòu)抑制劑，對WNK1酶的IC50為4 nM。靶點(diǎn)
| Target | Value |
|
WNK1
(Cell-free assay) | 4 nM |
體外研究
WNK-IN-11 (compound 11) shows IC 50 <2 μM in the cellular OSR1 phosphorylation assay with reasonable aqueous solubility, albeit with still rather high microsomal clearance. WNK-IN-11 shows ATP noncompetitive inhibition. When tested against a panel of 440 human kinases at 10 μM concentration, 2500-fold above enzyme IC 50 value, WNK-IN-11 shows excellent selectivity with only a few significant off-target kinase inhibitions, most notably BTK and feline encephalitis virus-related (FER) kinase, neither of which are implicated for blood pressure regulation. This excellent selectivity profile is consistent with the predicted allosteric binding mode outside the highly conserved ATP-pocket.