Name: UNC2025 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT214322992
Cas No:2070015-17-5
常用名:UNC2025 hydrochloride
别名:UNC2025 hydrochloride
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 hydrochloride
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 hydrochloride
InChI key:NYHAEAZNSGIAPV-FBGQUBCLSA-N

分子式:C28H41ClN6O
分子量:513.13
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:13.11,wD:16.15,(14.87,,;10.69,-2.93,;9.36,-2.16,;8.02,-2.93,;6.69,-2.16,;5.35,-2.93,;4.02,-2.16,;4.02,-.62,;2.69,.15,;1.35,-.62,;-.11,-.15,;-1.02,-1.39,;-.11,-2.64,;-.59,-4.1,;.44,-5.25,;-.03,-6.71,;-1.54,-7.03,;-2.01,-8.5,;-2.57,-5.89,;-2.09,-4.42,;1.35,-2.16,;2.69,-2.93,;-.59,1.32,;-2.09,1.64,;-2.57,3.1,;-1.54,4.25,;-2.01,5.71,;-3.52,6.03,;-4.55,4.89,;-6.06,5.21,;-6.53,6.67,;-8.04,6.99,;-5.5,7.82,;-4,7.5,;-.03,3.93,;.44,2.46,)|
SMILES:Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:13.11,wD:16.15,(14.87,,;10.69,-2.93,;9.36,-2.16,;8.02,-2.93,;6.69,-2.16,;5.35,-2.93,;4.02,-2.16,;4.02,-.62,;2.69,.15,;1.35,-.62,;-.11,-.15,;-1.02,-1.39,;-.11,-2.64,;-.59,-4.1,;.44,-5.25,;-.03,-6.71,;-1.54,-7.03,;-2.01,-8.5,;-2.57,-5.89,;-2.09,-4.42,;1.35,-2.16,;2.69,-2.93,;-.59,1.32,;-2.09,1.64,;-2.57,3.1,;-1.54,4.25,;-2.01,5.71,;-3.52,6.03,;-4.55,4.89,;-6.06,5.21,;-6.53,6.67,;-8.04,6.99,;-5.5,7.82,;-4,7.5,;-.03,3.93,;.44,2.46,)|

UNC2025 hydrochloride is a potent, ATP-competitive, highly orally active Mer/Flt3 inhibitor. It has IC50 values of 0.74 nM and 0.8 nM, respectively, for Mer and Flt3. UNC2025 hydrochloride demonstrates over 45-fold selectivity for MERTK compared to Axl (IC50 = 122 nM; Ki = 13.3 nM). Additionally, UNC2025 hydrochloride exhibits excellent PK properties, making it suitable for investigating acute leukemia.

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