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HIT212670439
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HIT212670439
  • HIT ID:HIT212670439
  • Cas No:2169919-21-3
  • 常用名:SNDX-5613
  • IUPAC:N-ethyl-5-fluoro-N-(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-ethanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide
    IUPAC:N-ethyl-5-fluoro-N-(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-ethanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide
  • InChI key:FRVSRBKUQZKTOW-YOCNBXQISA-N
  • 分子式:C32H47FN6O4S
  • 分子量:630.82
  • 氢键供体数 (HBD):1
  • 氢键受体数 (HBA):7
  • LogP:3.3701885
  • SMILES:CCN(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2 |wU:30.32,wD:33.39,(2.76,-7.23,;1.99,-5.9,;.45,-5.9,;-.32,-7.23,;.45,-8.57,;-1.86,-7.23,;-.32,-4.56,;.45,-3.23,;-1.86,-4.56,;-2.63,-5.9,;-4.17,-5.9,;-4.94,-7.23,;-4.94,-4.56,;-4.17,-3.23,;-2.63,-3.23,;-1.86,-1.9,;-2.63,-.56,;-4.17,-.56,;-4.94,.77,;-4.17,2.1,;-2.63,2.1,;-1.86,.77,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.63,2.1,;4.17,2.1,;4.94,.77,;6.48,.77,;7.25,-.56,;8.79,-.56,;9.56,-1.9,;8.79,-3.23,;7.25,-3.23,;6.48,-1.9,;9.56,-4.56,;11.1,-4.56,;11.1,-6.1,;11.1,-3.02,;12.64,-4.56,;13.41,-3.23,;4.17,-.56,;2.63,-.56,)|
    SMILES:CCN(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2 |wU:30.32,wD:33.39,(2.76,-7.23,;1.99,-5.9,;.45,-5.9,;-.32,-7.23,;.45,-8.57,;-1.86,-7.23,;-.32,-4.56,;.45,-3.23,;-1.86,-4.56,;-2.63,-5.9,;-4.17,-5.9,;-4.94,-7.23,;-4.94,-4.56,;-4.17,-3.23,;-2.63,-3.23,;-1.86,-1.9,;-2.63,-.56,;-4.17,-.56,;-4.94,.77,;-4.17,2.1,;-2.63,2.1,;-1.86,.77,;-.32,.77,;.77,1.86,;1.86,.77,;.77,-.32,;2.63,2.1,;4.17,2.1,;4.94,.77,;6.48,.77,;7.25,-.56,;8.79,-.56,;9.56,-1.9,;8.79,-3.23,;7.25,-3.23,;6.48,-1.9,;9.56,-4.56,;11.1,-4.56,;11.1,-6.1,;11.1,-3.02,;12.64,-4.56,;13.41,-3.23,;4.17,-.56,;2.63,-.56,)|
  • Revumenib(SNDX-5613) 是一种有效的选择性口服 menin-KMT2A 相互作用抑制剂,Ki 为 0.149 nM,IC50 为 10 在 20 nM 之间,可用于 MLL 基因重排的急性白血病研究。
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    99.12%
    ¥ 673.00
    1

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