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HIT212671679
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HIT212671679
  • HIT ID:HIT212671679
  • Cas No:2169916-18-9
  • 常用名:VTP50469
  • IUPAC:5-fluoro-N,N-bis(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-methanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide
    IUPAC:5-fluoro-N,N-bis(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-methanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide
  • InChI key:ADHHOUXZPBYYSU-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:3.2777662
  • SMILES:CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)CC2 |wU:31.33,wD:34.40,(2.76,-7.23,;1.99,-5.9,;2.76,-4.56,;.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,;7.25,2.1,;6.48,3.44,;7.25,4.77,;8.79,4.77,;9.56,3.44,;8.79,2.1,;9.56,6.1,;8.79,7.44,;10.12,8.21,;8.02,8.77,;7.46,6.67,;4.17,-.56,;2.63,-.56,)|
    SMILES:CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)CC2 |wU:31.33,wD:34.40,(2.76,-7.23,;1.99,-5.9,;2.76,-4.56,;.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,;7.25,2.1,;6.48,3.44,;7.25,4.77,;8.79,4.77,;9.56,3.44,;8.79,2.1,;9.56,6.1,;8.79,7.44,;10.12,8.21,;8.02,8.77,;7.46,6.67,;4.17,-.56,;2.63,-.56,)|
  • VTP50469 是一种高选择性和口服活性的是Menin-MLL蛋白-蛋白质相互作用的小分子抑制剂,具有有效的抗白血病活性,Ki 为 104 pM。
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
    99.55%
    ¥ 1,290.00
    1

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