基本情報
- CAS
42190-91-0- 標準SMILES
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
LKZFWYIOFQDUMO-GLCLSGQWSA-N- 分子式
- C35H48N4O10S2
- 平均分子量
- 748.9 g/mol
- 単同位体質量
- 748.28118609
概要
Pivampicillin Probenate is the probenate salt form of pivampicillin, a semisynthetic, orally active pivalate ester of ampenicillin with antibacterial activity. Upon absorption, pivampicillin is hydrolyzed into its active form ampicillin by esterases. Ampicillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This interrupts bacterial cell wall synthesis and results in the weakening of the bacterial cell wall and eventually causing cell lysis.
名称と識別子
- 優先名称
- Pivampicillin Probenate
- IUPAC
- 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-(dipropylsulfamoyl)benzoic acid
名称と別名
Pivampicillin probenate42190-91-0M3MYK6R22UDTXSID00195021RefChem:174633DTXCID10117512(2S-(2 alpha,5 alpha,6 beta(S*)))-6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2,2-dimethyl-1-oxopropoxy)methyl ester, mono(4-((dipropylamino)sulfonyl)benzoate)Pivampicillin probenate [USAN]2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-(dipropylsulfamoyl)benzoic acidPivampicillin probenate (USAN)UNII-M3MYK6R22USCHEMBL192174
名称をさらに表示
MK 356Hydroxymethyl D-(-)-6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate pivalate (ester) compound with p-(dipropylsulfamoyl)benzoic acid (1:1)D05521Q27283448(2S-(2alpha,5alpha,6beta(S*)))-6-((Aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, (2,2-dimethyl-1-oxopropoxy)methyl ester, mono(4-((dipropylamino)sulfonyl)benzoate)4-(Dipropylsulfamoyl)benzoic acid--[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (1/1)4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-(2alpha,5alpha,6beta(S*)))-, mono(4-((dipropylamino)sulfonyl)benzoate) (1:1)
物性
構造計算による物性
- 極性表面積
- 236 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 13
- 回転可能結合数
- 16
- 重原子数
- 51
- 形式電荷
- 0
- 複雑度
- 1,150
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