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temocillin , Bacterial penicillin-binding protein inhibitor, CAS No.66148-78-5, Bacterial penicillin-binding protein inhibitor
Basic Description
| Synonyms | CS-0356857 | (2S,5R,6S)-6-{[carboxy(thiophen-3-yl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | Q3983108 | TEMOCILLIN [MI] | Temocillinum | HY-145158 | (2S,5R,6S)-6-{[carboxy(3-thienyl)acetyl]amino}-6-met |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | INHIBITOR |
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| Mechanism of action | Bacterial penicillin-binding protein inhibitor |
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Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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| INCHI | InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1 |
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| InChi Key | BVCKFLJARNKCSS-DWPRYXJFSA-N |
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| Canonical SMILES | CO[C@@]1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C |
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| Isomeric SMILES | CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C |
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| PubChem CID | 171758 |
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| Molecular Weight | 414.5 |
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References
| 1. Adams-Haduch JM, Potoski BA, Sidjabat HE, Paterson DL, Doi Y. (2009) Activity of temocillin against KPC-producing Klebsiella pneumoniae and Escherichia coli.. Antimicrob Agents Chemother, 53 (6): (2700-1). [PMID:19332667] [10.1021/op500134e] |
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