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