2368927-41-5
中文名稱
化合物 PH-HTBA
英文名稱
Acetic acid, 2-(5,7,8,9-tetrahydro-5-hydroxy-2-phenyl-6H-benzocyclohepten-6-ylidene)-, (2E)-
CAS
2368927-41-5
分子式
C19H18O3
分子量
294.34
MOL 文件
2368927-41-5.mol
2368927-41-5 結(jié)構(gòu)式
基本信息
中文別名
化合物 PH-HTBA 英文別名
Acetic acid, 2-(5,7,8,9-tetrahydro-5-hydroxy-2-phenyl-6H-benzocyclohepten-6-ylidene)-, (2E)-物理化學(xué)性質(zhì)
沸點557.6±50.0 °C(Predicted)
密度1.290±0.06 g/cm3(Predicted)
酸度系數(shù)(pKa)3.94±0.41(Predicted)
應(yīng)用領(lǐng)域
用途一
Ph-HTBA a Novel High-Affinity Brain-Penetrant Stabilizer of the CaMKIIα Hub Domain. Ph-HTBA showed enhanced mid-nanomolar affinity for the CaMKIIα binding site and a marked hub thermalstabilization effect along with a distinct CaMKIIα Trp403 flip upon binding. Moreover, Ph-HTBA has good cellular permeability and low microsomal clearance and shows brain permeability after systemic administration to mice, signified by a high Kp, uu value (0.85). Ph-HTBA is a promising candidate for CaMKIIα-associated pharmacological interventions and future clinical development.