WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 111506
CAS#: 1006686-82-3
Description: NAB-739 is a polymyxin derivative, an antibiotic against E. coli, Enterobacteriacea, Acinetobacter baumannii, and Klebsiella pneumoniae.
MedKoo Cat#: 111506
Name: NAB-739
CAS#: 1006686-82-3
Chemical Formula: C50H85N13O13
Exact Mass: 1075.64
Molecular Weight: 1076.31
Elemental Analysis: C, 55.80; H, 7.96; N, 16.92; O, 19.32
This product is not in stock, which may be available by custom synthesis.
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Synonym: NAB 739; NAB739
IUPAC/Chemical Name: N-((2S,3R)-3-hydroxy-1-(((2S)-3-hydroxy-1-oxo-1-(((3S,6S,9S,15R,18S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)propan-2-yl)amino)-1-oxobutan-2-yl)octanamide
InChi Key: MDZVFKKBSGQKQR-XNUGQAHBSA-N
InChi Code: InChI=1S/C50H85N13O13/c1-6-7-8-9-13-16-39(67)62-41(30(5)66)50(76)61-38(27-64)48(74)58-35-20-24-54-49(75)40(29(4)65)63-45(71)34(19-23-53)56-42(68)32(17-21-51)57-46(72)36(25-28(2)3)59-47(73)37(26-31-14-11-10-12-15-31)60-43(69)33(18-22-52)55-44(35)70/h10-12,14-15,28-30,32-38,40-41,64-66H,6-9,13,16-27,51-53H2,1-5H3,(H,54,75)(H,55,70)(H,56,68)(H,57,72)(H,58,74)(H,59,73)(H,60,69)(H,61,76)(H,62,67)(H,63,71)/t29-,30-,32+,33+,34+,35?,36?,37-,38+,40+,41+/m1/s1
SMILES Code: CCCCCCCC(N[C@H](C(N[C@H](C(NC1CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC(C(NC([C@H](NC([C@@H](NC1=O)CCN)=O)Cc2ccccc2)=O)CC(C)C)=O)CCN)=O)CCN)=O)=O)=O)CO)=O)[C@H](O)C)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 1076.31 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Vaara M, Vaara T, Kuka J, Sevostjanovs E, Grinberga S, Dambrova M, Liepinsh E. Excretion of the Polymyxin Derivative NAB739 in Murine Urine. Antibiotics (Basel). 2020 Mar 27;9(4):143. doi: 10.3390/antibiotics9040143. PMID: 32230751; PMCID: PMC7235871.
2: Tyrrell JM, Aboklaish AF, Walsh TR, Vaara T, Vaara M. The polymyxin derivative NAB739 is synergistic with several antibiotics against polymyxin- resistant strains of Escherichia coli, Klebsiella pneumoniae and Acinetobacter baumannii. Peptides. 2019 Feb;112:149-153. doi: 10.1016/j.peptides.2018.12.006. Epub 2018 Dec 23. PMID: 30586602.
3: Vaara M, Vaara T, Vingsbo Lundberg C. Polymyxin derivatives NAB739 and NAB815 are more effective than polymyxin B in murine Escherichia coli pyelonephritis. J Antimicrob Chemother. 2018 Feb 1;73(2):452-455. doi: 10.1093/jac/dkx394. PMID: 29149329.
4: Vaara M, Vaara T. The novel polymyxin derivative NAB739 is remarkably less cytotoxic than polymyxin B and colistin to human kidney proximal tubular cells. Int J Antimicrob Agents. 2013 Mar;41(3):292-3. doi: 10.1016/j.ijantimicag.2012.10.005. Epub 2012 Nov 20. PMID: 23182536.
5: Vaara M, Sader HS, Rhomberg PR, Jones RN, Vaara T. Antimicrobial activity of the novel polymyxin derivative NAB739 tested against Gram-negative pathogens. J Antimicrob Chemother. 2013 Mar;68(3):636-9. doi: 10.1093/jac/dks438. Epub 2012 Nov 6. PMID: 23134658.
6: Vaara M, Siikanen O, Apajalahti J, Frimodt-Møller N, Vaara T. Susceptibility of carbapenemase-producing strains of Klebsiella pneumoniae and Escherichia coli to the direct antibacterial activity of NAB739 and to the synergistic activity of NAB7061 with rifampicin and clarithromycin. J Antimicrob Chemother. 2010 May;65(5):942-5. doi: 10.1093/jac/dkq040. Epub 2010 Feb 18. PMID: 20167589.
