Name: Casein Kinase inhibitor A86
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322997
Cas No:2079069-01-3
常用名:Casein Kinase inhibitor A86
别名:Casein Kinase inhibitor A86
IUPAC:(1r,4r)-N1-{4-[5-(cyclopropylmethyl)-1-methyl-1H-pyrazol-4-yl]-5-fluoropyrimidin-2-yl}cyclohexane-1,4-diamine
IUPAC:(1r,4r)-N1-{4-[5-(cyclopropylmethyl)-1-methyl-1H-pyrazol-4-yl]-5-fluoropyrimidin-2-yl}cyclohexane-1,4-diamine
InChI key:YSPIHUWHLMNFOV-JOCQHMNTSA-N

分子式:C18H25FN6
分子量:344.438
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |wU:14.15,wD:17.19,(.44,.78,;-.71,-.25,;-2.22,.07,;-2.99,-1.27,;-1.96,-2.41,;-.55,-1.78,;.79,-2.55,;.79,-4.09,;1.56,-5.43,;.02,-5.43,;-2.28,-3.92,;-1.13,-4.95,;-1.45,-6.45,;-.31,-7.48,;-.63,-8.99,;.52,-10.02,;.2,-11.53,;-1.27,-12,;-1.59,-13.51,;-2.41,-10.97,;-2.09,-9.47,;-2.92,-6.93,;-4.06,-5.9,;-3.74,-4.39,;-4.88,-3.36,)|
SMILES:Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |wU:14.15,wD:17.19,(.44,.78,;-.71,-.25,;-2.22,.07,;-2.99,-1.27,;-1.96,-2.41,;-.55,-1.78,;.79,-2.55,;.79,-4.09,;1.56,-5.43,;.02,-5.43,;-2.28,-3.92,;-1.13,-4.95,;-1.45,-6.45,;-.31,-7.48,;-.63,-8.99,;.52,-10.02,;.2,-11.53,;-1.27,-12,;-1.59,-13.51,;-2.41,-10.97,;-2.09,-9.47,;-2.92,-6.93,;-4.06,-5.9,;-3.74,-4.39,;-4.88,-3.36,)|

Casein Kinase inhibitor A86 is a highly effective and orally bioavailable inhibitor of casein kinase 1α (CK1α). Additionally, it displays inhibitory actions towards CDK7 (TFIIH) and CDK9 (P-TEFb). Furthermore, Casein Kinase inhibitor A86 demonstrates the ability to induce apoptosis in leukemia cells, portraying substantial anti-leukemic effects.

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