D13-9001
Based on 1 Customer Validation
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.
For research use only. We do not sell to patients.
- Purity: 99.85%
- CAS No.: 957471-96-4
- Formula: C31H39N11O6S
- Molecular Weight:693.78
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
KD: 1.15 μM (AcrB), 3.57 μM (MexB)[1]
D13-9001 exhibits high solubility and a good safety profile[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:SD rats (Pulmonary infection by P. aeruginosa PAM1020)[3]
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Dosage:1.25 mg/kg, 5 mg/kg, 20 mg/kg
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Administration:Intravenous drip infusion; 2 hours
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Result:The combination of 1.25, 5, and 20 mg/kg of D13-9001 with 1000 mg/kg of AZT gave improved survival rates at the end of day seven, whereas no obvious effect was observed on treatment with AZT alone.
Chemical Information
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CAS No. 957471-96-4
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Appearance Solid
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Molecular Weight 693.78
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Formula C31H39N11O6S
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Color Yellow to orange
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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
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (144.14 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (271 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[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]
[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. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.4414 mL | 7.2069 mL | 14.4138 mL | 36.0345 mL |
| 5 mM | 0.2883 mL | 1.4414 mL | 2.8828 mL | 7.2069 mL | |
| 10 mM | 0.1441 mL | 0.7207 mL | 1.4414 mL | 3.6034 mL | |
| 15 mM | 0.0961 mL | 0.4805 mL | 0.9609 mL | 2.4023 mL | |
| 20 mM | 0.0721 mL | 0.3603 mL | 0.7207 mL | 1.8017 mL | |
| 25 mM | 0.0577 mL | 0.2883 mL | 0.5766 mL | 1.4414 mL | |
| 30 mM | 0.0480 mL | 0.2402 mL | 0.4805 mL | 1.2011 mL | |
| 40 mM | 0.0360 mL | 0.1802 mL | 0.3603 mL | 0.9009 mL | |
| 50 mM | 0.0288 mL | 0.1441 mL | 0.2883 mL | 0.7207 mL | |
| 60 mM | 0.0240 mL | 0.1201 mL | 0.2402 mL | 0.6006 mL | |
| 80 mM | 0.0180 mL | 0.0901 mL | 0.1802 mL | 0.4504 mL | |
| 100 mM | 0.0144 mL | 0.0721 mL | 0.1441 mL | 0.3603 mL |
D13-9001 Related Classifications
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