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HIT214318772
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HIT214318772
  • HIT ID:HIT214318772
  • Cas No:1872382-50-7
  • 常用名:UNC-4219 TFA
  • 别名:UNC-4219, UNC4219, UNC 4219
  • IUPAC:methyl (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(4-tert-butylphenyl)formamido]-N-methyl-3-phenylpropanamido]propanamido]-4-methylpentanamido]-6-(diethylamino)hexanamido]-3-hydroxypropanoate; trifluoroacetic acid
    IUPAC:methyl (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(4-tert-butylphenyl)formamido]-N-methyl-3-phenylpropanamido]propanamido]-4-methylpentanamido]-6-(diethylamino)hexanamido]-3-hydroxypropanoate; trifluoroacetic acid
  • InChI key:VSMDTYSYZIIMJK-UBFDPUAUSA-N
  • 分子式:C46H69F3N6O10
  • 分子量:923.085
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OC(=O)C(F)(F)F.CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
    SMILES:OC(=O)C(F)(F)F.CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
  • UNC4219 is a negative control compound for UNC3866, a potent antagonist of the methyllysine (Kme) reading function of the Polycomb CBX and CDY families of chromodomains.
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