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  3. HIT217633235
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HIT217633235
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HIT217633235
  • HIT ID:HIT217633235
  • Cas No:
  • 常用名:F-Amidine TFA
  • IUPAC:(2S)-5-(2-fluoroethanimidamido)-2-(phenylformamido)pentanamide; trifluoroacetic acid
    IUPAC:(2S)-5-(2-fluoroethanimidamido)-2-(phenylformamido)pentanamide; trifluoroacetic acid
  • InChI key:RJYLIKJNBRPBOO-MERQFXBCSA-N
  • 分子式:C16H20F4N4O4
  • 分子量:408.354
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OC(=O)C(F)(F)F.NC(=O)[C@H](CCCNC(=N)CF)NC(=O)c1ccccc1
    SMILES:OC(=O)C(F)(F)F.NC(=O)[C@H](CCCNC(=N)CF)NC(=O)c1ccccc1
  • F-amidine is a selective inhibitor of protein arginine deiminases (PADs), specifically targeting PAD1 and PAD4 with in vitro IC50 values of 29.5, 350, and 21.6 µM for PAD1, PAD3, and PAD4, respectively. It irreversibly inactivates all four PAD subtypes by covalently modifying an active site cysteine crucial for enzymatic activity, with kinact/KI values of 2,800, 380, 170, and 3,000 M^-1min^-1. Additionally, F-amidine demonstrates cytotoxicity against HL-60, MCF-7, and HT-29 cancer cell lines, with IC50s of 0.5, 0.5, and 1 μM, respectively.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    35日内发货
    纯度
    -
    ¥ 3,930.00
    1

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