NAB-739 | CAS#1006686-82-3 | Polymyxin Antibiotic

MedKoo Cat#: 111506 | Name: NAB-739

Description:

WARNING: This product is for research use only, not for human or veterinary use.

NAB-739 is a polymyxin derivative, an antibiotic against E. coli, Enterobacteriacea, Acinetobacter baumannii, and Klebsiella pneumoniae.

Chemical Structure

NAB-739

CAS#1006686-82-3

Theoretical Analysis

MedKoo Cat#: 111506

Name: NAB-739

CAS#: 1006686-82-3

Chemical Formula: C50H85N13O13

Exact Mass: 1075.6400

Molecular Weight: 1076.31

Elemental Analysis: C, 55.80; H, 7.96; N, 16.92; O, 19.32

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,076.31 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.