Name: S-MGB-234
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214322928
Cas No:1970223-53-0
常用名:S-MGB-234
IUPAC:N-[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-6-[(1E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
IUPAC:N-[5-({5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-6-[(1E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxamide
InChI key:YXHYDOJGRZNJDY-XBXARRHUSA-N

分子式:C30H32N8O4
分子量:568.638
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(\C=C\c2ccc(cn2)C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=N)n(C)c3)n(C)c2)cc1
SMILES:COc1ccc(\C=C\c2ccc(cn2)C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=N)n(C)c3)n(C)c2)cc1

S-MGB-234 is a minor groove binder utilized for the treatment of Animal African Trypanosomiasis (AAT). It exhibits exceptional in vitro efficacy against the primary causative agents of AAT, namely Trypanosoma congolense and Trypanosoma vivax. Moreover, S-MGB-234 does not demonstrate cross-resistance with existing diamidine drugs and is not internalized through the transporters employed by diamidines.

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