Name: A 419259 trihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212664895
Cas No:1435934-25-0
常用名:A 419259 trihydrochloride
别名:RK 20449 trihydrochloride
IUPAC:5-(4-phenoxyphenyl)-7-[(1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride
IUPAC:5-(4-phenoxyphenyl)-7-[(1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride
InChI key:ALRMEQIQFCUAMR-KOONDFAVSA-N

分子式:C29H37Cl3N6O
分子量:592.01
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:4.621098
SMILES:Cl.Cl.Cl.[H][C@@]1(CC[C@@]([H])(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)N1CCN(C)CC1 |wU:4.35,7.4,wD:4.0,7.8,(9.53,,;,-12.65,;4.18,-12.65,;-1.72,5.6,;-.21,5.28,;1.29,4.96,;1.77,3.49,;.74,2.35,;-.29,1.2,;-.77,2.67,;-1.24,4.13,;1.22,.88,;.31,-.36,;1.22,-1.61,;.74,-3.07,;1.77,-4.22,;1.29,-5.68,;-.21,-6,;-.69,-7.47,;-2.19,-7.79,;-2.67,-9.25,;-4.18,-9.57,;-5.21,-8.43,;-4.73,-6.96,;-3.22,-6.64,;-1.24,-4.86,;-.77,-3.39,;2.68,-1.13,;4.01,-1.9,;4.01,-3.44,;5.35,-1.13,;5.35,.41,;4.01,1.18,;2.68,.41,;-.69,6.74,;.34,7.89,;-.13,9.35,;-1.64,9.67,;-2.12,11.14,;-2.67,8.53,;-2.19,7.06,)|
SMILES:Cl.Cl.Cl.[H][C@@]1(CC[C@@]([H])(CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)N1CCN(C)CC1 |wU:4.35,7.4,wD:4.0,7.8,(9.53,,;,-12.65,;4.18,-12.65,;-1.72,5.6,;-.21,5.28,;1.29,4.96,;1.77,3.49,;.74,2.35,;-.29,1.2,;-.77,2.67,;-1.24,4.13,;1.22,.88,;.31,-.36,;1.22,-1.61,;.74,-3.07,;1.77,-4.22,;1.29,-5.68,;-.21,-6,;-.69,-7.47,;-2.19,-7.79,;-2.67,-9.25,;-4.18,-9.57,;-5.21,-8.43,;-4.73,-6.96,;-3.22,-6.64,;-1.24,-4.86,;-.77,-3.39,;2.68,-1.13,;4.01,-1.9,;4.01,-3.44,;5.35,-1.13,;5.35,.41,;4.01,1.18,;2.68,.41,;-.69,6.74,;.34,7.89,;-.13,9.35,;-1.64,9.67,;-2.12,11.14,;-2.67,8.53,;-2.19,7.06,)|

A 419259 trihydrochloride (RK 20449 trihydrochloride) 是一种 Src 家族激酶抑制剂，能够抑制 Src (IC50:9 nM)、Lck (IC50:3 nM)、Lyn (IC50:3 nM)。

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