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HIT212686724
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HIT212686724
  • HIT ID:HIT212686724
  • Cas No:2301085-04-9
  • 常用名:Emzadirib
  • 别名:RAD51-IN-2, CYT-0851
  • IUPAC:propan-2-yl N-[(1r,4r)-4-{5-[2-(tert-butylsulfamoyl)-4-{[(propan-2-yloxy)carbonyl]amino}phenyl]-1,3-thiazol-2-yl}cyclohexyl]carbamate
    IUPAC:propan-2-yl N-[(1r,4r)-4-{5-[2-(tert-butylsulfamoyl)-4-{[(propan-2-yloxy)carbonyl]amino}phenyl]-1,3-thiazol-2-yl}cyclohexyl]carbamate
  • InChI key:OVXFEICGTUUFPE-WGSAOQKQSA-N
  • 分子式:C27H40N4O6S2
  • 分子量:580.76
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):6
  • LogP:4.7445083
  • SMILES:CC(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1ncc(s1)-c1ccc(NC(=O)OC(C)C)cc1S(=O)(=O)NC(C)(C)C |wU:7.6,wD:10.13,(-10.6,21.07,;-9.69,19.83,;-10.32,18.42,;-8.16,19.99,;-7.26,18.74,;-7.88,17.34,;-5.72,18.9,;-4.82,17.66,;-3.29,17.82,;-2.38,16.57,;-3.01,15.17,;-4.54,15,;-5.45,16.25,;-2.1,13.92,;-.56,13.92,;-.09,12.46,;-1.33,11.55,;-2.58,12.46,;-1.33,10.01,;,9.24,;,7.7,;-1.33,6.93,;-1.33,5.39,;,4.62,;,3.08,;1.33,5.39,;2.67,4.62,;4,5.39,;2.67,3.08,;-2.67,7.7,;-2.67,9.24,;-4,10.01,;-4.77,8.68,;-3.23,11.34,;-5.33,10.78,;-5.33,12.32,;-3.79,12.32,;-6.87,12.32,;-5.33,13.86,)|
    SMILES:CC(C)OC(=O)N[C@H]1CC[C@@H](CC1)c1ncc(s1)-c1ccc(NC(=O)OC(C)C)cc1S(=O)(=O)NC(C)(C)C |wU:7.6,wD:10.13,(-10.6,21.07,;-9.69,19.83,;-10.32,18.42,;-8.16,19.99,;-7.26,18.74,;-7.88,17.34,;-5.72,18.9,;-4.82,17.66,;-3.29,17.82,;-2.38,16.57,;-3.01,15.17,;-4.54,15,;-5.45,16.25,;-2.1,13.92,;-.56,13.92,;-.09,12.46,;-1.33,11.55,;-2.58,12.46,;-1.33,10.01,;,9.24,;,7.7,;-1.33,6.93,;-1.33,5.39,;,4.62,;,3.08,;1.33,5.39,;2.67,4.62,;4,5.39,;2.67,3.08,;-2.67,7.7,;-2.67,9.24,;-4,10.01,;-4.77,8.68,;-3.23,11.34,;-5.33,10.78,;-5.33,12.32,;-3.79,12.32,;-6.87,12.32,;-5.33,13.86,)|
  • Emzadirib (RAD51-IN-2) 是一种有效的 RAD51 抑制剂,具有潜在的抗癌活性,可用于研究 DNA 损伤修复。
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  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    99.90%
    ¥ 786.00
    1

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