Name: MRX-2843
Rating: 5 (10 reviews)

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HIT ID:HIT212005408
Cas No:1429882-07-4
常用名:MRX-2843
别名:UNC2371
IUPAC:(1r,4r)-4-{2-[(2-cyclopropylethyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclohexan-1-ol
IUPAC:(1r,4r)-4-{2-[(2-cyclopropylethyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclohexan-1-ol
InChI key:LBEJYFVJIPQSNX-SOAUALDESA-N

分子式:C29H40N6O
分子量:488.68
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.8866856
SMILES:CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |wU:15.15,wD:18.19,(-6.83,7.28,;-5.32,6.96,;-4.29,8.11,;-2.78,7.79,;-2.31,6.32,;-.8,6,;-.32,4.54,;1.18,4.22,;1.66,2.75,;.63,1.61,;-.88,1.93,;-1.36,3.39,;1.1,.14,;.2,-1.1,;1.1,-2.35,;.63,-3.81,;1.66,-4.96,;1.18,-6.42,;-.32,-6.74,;-.8,-8.21,;-1.36,-5.6,;-.88,-4.13,;2.57,-1.87,;3.9,-2.64,;5.23,-1.87,;6.57,-2.64,;6.57,-4.18,;7.9,-4.95,;7.9,-6.49,;8.67,-7.83,;7.13,-7.83,;5.23,-.33,;3.9,.44,;2.57,-.33,;-3.34,5.18,;-4.84,5.5,)|
SMILES:CN1CCN(Cc2ccc(cc2)-c2cn([C@H]3CC[C@H](O)CC3)c3nc(NCCC4CC4)ncc23)CC1 |wU:15.15,wD:18.19,(-6.83,7.28,;-5.32,6.96,;-4.29,8.11,;-2.78,7.79,;-2.31,6.32,;-.8,6,;-.32,4.54,;1.18,4.22,;1.66,2.75,;.63,1.61,;-.88,1.93,;-1.36,3.39,;1.1,.14,;.2,-1.1,;1.1,-2.35,;.63,-3.81,;1.66,-4.96,;1.18,-6.42,;-.32,-6.74,;-.8,-8.21,;-1.36,-5.6,;-.88,-4.13,;2.57,-1.87,;3.9,-2.64,;5.23,-1.87,;6.57,-2.64,;6.57,-4.18,;7.9,-4.95,;7.9,-6.49,;8.67,-7.83,;7.13,-7.83,;5.23,-.33,;3.9,.44,;2.57,-.33,;-3.34,5.18,;-4.84,5.5,)|

MRX-2843 (UNC2371) 是ATP 竞争性的、具有口服活性的MERTK 和FLT3酪氨酸激酶抑制剂 (TKI)，它们的IC50分别为 1.3 nM 和 0.64 nM。

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