D13-9001

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].

Product Specifications

CAS Number

[957471-96-4]

UNSPSC

12352005

Target

Bacterial

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/d13-9001.html

Purity

99.85

Solubility

DMSO : 100 mg/mL (ultrasonic)

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

Molecular Formula

C31H39N11O6S

Molecular Weight

693.78

References & Citations

[1]Opperman TJ, et al. Recent advances toward a molecular mechanism of efflux pump inhibition. Front Microbiol. 2015 May 5; 6:421.|[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.|[3]Yoshida K, et al. MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 7: highly soluble and in vivo active quaternary ammonium analogue D13-9001, a potential preclinical candidate. Bioorg Med Chem. 2007 Nov 15;15 (22) :7087-97.