Name: Pipacycline
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212039068
Cas No:1110-80-1
常用名:Pipacycline
IUPAC:(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC:(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
InChI key:XATZHCXBMKRRDO-REHNUXHNSA-N

分子式:C29H38N4O9
分子量:586.642
氢键供体数 (HBD):7
氢键受体数 (HBA):12
LogP:-4.335479
SMILES:[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |t:5,27|
SMILES:[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |t:5,27|

Pipacycline is a tetracycline antibiotic derivative. It inhibits the formation of penicillinase, the enzyme that inactivates penicillin in bacteria. It decreases oxygen uptake and inhibits growth of penicillin-resistant penicillinase-producing S. aureus.

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