D-Captopril
D-Captopril is a NDM-1 inhibitor and a competitive BlaB inhibitor, with an IC50 value of 21.8 µM against NDM-1 and a Ki of 70-100 µM against BlaB. D-Captopril synergistically reduces the minimum inhibitory concentration of Meropenem (HY-13678) against NDM-1-expressing bacteria. D-Captopril binds to BcII via its thiolate sulfur atom and carboxylate group, altering metal ion occupancy and modulating Cd2+ binding affinity. D-Captopril can be used in the research of neonatal meningitis, sepsis and bacterial infections.
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- CAS No.: 119238-52-7
- 화학식: C9H15NO3S
- 분자량:217.29
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
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NDM-1 21.8 μM (IC50) |
D-Captopril (2 mM; ~5 weeks) binds to BlaB of *Chryseobacterium meningosepticum* by inserting its sulfhydryl group between the two active-site Zn2+ ions of BlaB and displacing the catalytic hydroxyl group. It acts as a competitive inhibitor of BlaB at neutral pH, with a Ki of 70-100 μM[1].
D-Captopril inhibits the enzymatic activity of purified wild-type NDM-1 through interactions with active site residues and stabilized water networks, with an IC50 value of 21.8 μM[2].
D-Captopril (8-32 mg/L) acts synergistically with Meropenem (HY-13678) at the concentration of 32 mg/L, reducing the MIC of Meropenem against E. coli DH5α expressing NDM-1 from 8 mg/L to 4 mg/L, whereas no synergistic effect is observed at the concentration of 8 mg/L[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 119238-52-7
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분자량 217.29
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화학식 C9H15NO3S
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SMILES
SC[C@@H](C)C(N1[C@H](CCC1)C(O)=O)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
[1]. García-Saez I, et al. The 1.5-A structure of Chryseobacterium meningosepticum zinc beta-lactamase in complex with the inhibitor, D-captopril. J Biol Chem. 2003;278(26):23868-23873. [Content Brief]
[2]. Ma G, et al. Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg Med Chem. 2021;29:115902. [Content Brief]
[3]. Heinz U, et al. Coordination geometries of metal ions in d- or l-captopril-inhibited metallo-beta-lactamases. J Biol Chem. 2003;278(23):20659-20666. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
D-Captopril Related Classifications
HY-B0368B Related Classifications
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