D13-9001

• Description :

  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].

• 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.

• Shipping Conditions :

  Room Temperature

• Storage Conditions :

  -20°C, 3 years; 4°C, 2 years (Powder)

• Scientific Category :

  Reference compound1

• Clinical Information :

  No Development Reported

• CAS Number :

  [957471-96-4]