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

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HIT ID:HIT212718289
Cas No:1970223-54-1
常用名:S-MGB-234 TFA
别名:SMGB-234, S-MGB-234, S-MGB234, SMGB234, S-MGB 234, SMGB 234
别名:SMGB-234, S-MGB-234, S-MGB234, SMGB234, S-MGB 234, SMGB 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; bis(trifluoroacetic acid)
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; bis(trifluoroacetic acid)
InChI key:DXYFFMSFQRKJCY-ZDTICIBISA-N

分子式:C34H34F6N8O8
分子量:796.684
氢键供体数 (HBD):5
氢键受体数 (HBA):7
LogP:1.5962505
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(\C=C\c2ccc(cn2)C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=N)n(C)c3)n(C)c2)cc1
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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 novel Minor Groove Binder that cures animal African trypanosomiasis in an in vivo mouse model. S-MGB-234 has significant potential as novel therapeutic agents for animal African trypanosomiasis.

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