Name: UNC2025 2HCl (1429881-91-3(free base))
Rating: 5 (10 reviews)

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HIT ID:HIT212651170
Cas No:2309489-06-1
常用名:UNC2025 2HCl (1429881-91-3(free base))
常用名:UNC2025 2HCl (1429881-91-3(free base))
IUPAC:(1r,4r)-4-[2-(butylamino)-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol dihydrochloride
IUPAC:(1r,4r)-4-[2-(butylamino)-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol dihydrochloride
InChI key:GAZBHOHQEDSYPG-PZPNUJOOSA-N

分子式:C28H42Cl2N6O
分子量:549.59
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:4.0633926
SMILES:Cl.Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:14.11,wD:17.15,(;4.18,,;8.25,-4.02,;6.92,-4.79,;6.92,-6.33,;5.58,-7.1,;5.58,-8.64,;4.25,-9.41,;4.25,-10.95,;2.92,-11.72,;1.58,-10.95,;.12,-11.43,;-.79,-10.18,;.12,-8.94,;-.36,-7.47,;-1.86,-7.15,;-2.34,-5.69,;-1.31,-4.54,;-1.79,-3.08,;.2,-4.86,;.67,-6.33,;1.58,-9.41,;2.92,-8.64,;-.36,-12.89,;.67,-14.04,;.2,-15.5,;-1.31,-15.82,;-1.79,-17.29,;-3.29,-17.61,;-3.77,-19.07,;-5.27,-19.39,;-6.31,-18.25,;-7.81,-18.57,;-5.83,-16.78,;-4.32,-16.46,;-2.34,-14.68,;-1.86,-13.22,)|
SMILES:Cl.Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:14.11,wD:17.15,(;4.18,,;8.25,-4.02,;6.92,-4.79,;6.92,-6.33,;5.58,-7.1,;5.58,-8.64,;4.25,-9.41,;4.25,-10.95,;2.92,-11.72,;1.58,-10.95,;.12,-11.43,;-.79,-10.18,;.12,-8.94,;-.36,-7.47,;-1.86,-7.15,;-2.34,-5.69,;-1.31,-4.54,;-1.79,-3.08,;.2,-4.86,;.67,-6.33,;1.58,-9.41,;2.92,-8.64,;-.36,-12.89,;.67,-14.04,;.2,-15.5,;-1.31,-15.82,;-1.79,-17.29,;-3.29,-17.61,;-3.77,-19.07,;-5.27,-19.39,;-6.31,-18.25,;-7.81,-18.57,;-5.83,-16.78,;-4.32,-16.46,;-2.34,-14.68,;-1.86,-13.22,)|

UNC2025 2HCl (1429881-91-3(free base)) 是一种有效且具有口服生物利用度的 Mer/Flt3 双重抑制剂，对 Mer/Flt3 的 IC50 为 0.8/0.74 nM。

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