Streptonigrin | Bruneomycin | CAS 1079893-79-0;3930-19-6 | AnyMole

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HIT212039130

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HIT212039130

HIT ID:HIT212039130
Cas No:1079893-79-0;3930-19-6
常用名:Streptonigrin
别名:Bruneomycin
IUPAC:5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid
IUPAC:5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid
InChI key:PVYJZLYGTZKPJE-UHFFFAOYSA-N

分子式:C25H22N4O8
分子量:506.471
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:1.0583267
SMILES:COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2|
SMILES:COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2|

Streptonigrin is a natural product produced by Streptomyces flocculus, has both anti-tumor and anti-bacterial activity. Streptonigrin acts as a pan-PAD inhibitor (IC50s: 48.3±34.2 μM, 26.1±0.3 μM, 0.43±0.03 μM, and 2.5±0.4 μM for PAD1, PAD2, PAD3, and PAD4, respectively).

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TargetMolSC
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TargetMolSC
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10-14周
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4-6周
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