957471-96-4
Chemical Structure
D13-9001
- CAS No.: 957471-96-4
- Formula:C31H39N11O6S
- Molecular Weight:693.78
IUPAC Name: (R,E)-2-((2-((((1-(3-(2-(1H-tetrazol-5-yl)vinyl)-8-((4-(tert-butyl)thiazol-2-yl)carbamoyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl)oxy)carbonyl)amino)ethyl)dimethylammonio)acetate
InChIKey: RVJNIKFVEAWLQC-HXUWFJFHSA-N
SMILES: O=C(NCC[N+](C)(CC([O-])=O)C)O[C@H]1CN(C(N=C2N3C=CC(C(NC4=NC(C(C)(C)C)=CS4)=O)=C2)=C(/C=C/C5=NN=NN5)C3=O)CCC1
Biological Activity: D13-9001 is a potent AcrB (AcrAB-TolC efflux pump subunit) and MexB (MexAB-OprM efflux pump subunit) inhibitor with the KD values of 1.15 μM and 3.57 μM in E. coli and P. aeruginosa, respectively[1]. D13-9001 exhibits antibiotic activities[2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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D13-9001 | 99.85% | D13-9001 is a potent AcrB (AcrAB-TolC efflux pump subunit) and MexB (MexAB-OprM efflux pump subunit) inhibitor with the KD values of 1.15 μM and 3.57 μM in E. coli and P. aeruginosa, respectively. D13-9001 exhibits antibiotic activities. | ||||||||||||||||||||
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- [1]. Opperman TJ, et al. Recent advances toward a molecular mechanism of efflux pump inhibition. Front Microbiol. 2015 May 5; 6:421. [Content Brief]
- [2]. Zuo Z, et al. Insights into the Inhibitory Mechanism of D13-9001 to the Multidrug Transporter AcrB through Molecular Dynamics Simulations. J Phys Chem B. 2016 Mar 10;120(9):2145-54. [Content Brief]
Keywords
