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MedKoo Cat#: 597990 | Name: Polymyxin B1-i

Description:

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

Polymyxin B1-i is a polypeptide antibiotic.

Chemical Structure

Polymyxin B1-i
Polymyxin B1-i
CAS#811435-10-6

Theoretical Analysis

MedKoo Cat#: 597990

Name: Polymyxin B1-i

CAS#: 811435-10-6

Chemical Formula: C56H98N16O13

Exact Mass: 1202.7499

Molecular Weight: 1203.49

Elemental Analysis: C, 55.89; H, 8.21; N, 18.62; O, 17.28

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.
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Related CAS #
No Data
Synonym
Polymyxin B1-i;
IUPAC/Chemical Name
(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
InChi Key
YAMZKVXJHUGXEM-FHUJKRKBSA-N
InChi Code
InChI=1S/C56H98N16O13/c1-7-31(3)14-12-13-17-43(75)63-36(18-24-57)51(80)72-46(34(6)74)56(85)68-39(21-27-60)48(77)66-41-23-29-62-54(83)45(33(5)73)71-52(81)40(22-28-61)65-47(76)38(20-26-59)67-55(84)44(32(4)8-2)70-53(82)42(30-35-15-10-9-11-16-35)69-49(78)37(19-25-58)64-50(41)79/h9-11,15-16,31-34,36-42,44-46,73-74H,7-8,12-14,17-30,57-61H2,1-6H3,(H,62,83)(H,63,75)(H,64,79)(H,65,76)(H,66,77)(H,67,84)(H,68,85)(H,69,78)(H,70,82)(H,71,81)(H,72,80)/t31-,32-,33+,34+,36-,37-,38-,39-,40-,41-,42+,44-,45-,46-/m0/s1
SMILES Code
CC[C@@H](CCCCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CCNC([C@H]([C@H](O)C)NC([C@@H](NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](NC([C@@H](NC1=O)CCN)=O)Cc2ccccc2)=O)=O)CCN)=O)CCN)=O)=O)=O)CCN)=O)[C@H](O)C)=O)CCN)=O)C
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,203.49 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.

Recalculate based on batch purity %
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: Cai Y, Lee W, Kwa AL. Polymyxin B versus colistin: an update. Expert Rev Anti Infect Ther. 2015;13(12):1481-97. doi: 10.1586/14787210.2015.1093933. Epub 2015 Oct 21. Review. PubMed PMID: 26488563. 2: Nation RL, Velkov T, Li J. Colistin and polymyxin B: peas in a pod, or chalk and cheese? Clin Infect Dis. 2014 Jul 1;59(1):88-94. doi: 10.1093/cid/ciu213. Epub 2014 Apr 3. Review. PubMed PMID: 24700659; PubMed Central PMCID: PMC4305129. 3: Bergen PJ, Bulman ZP, Saju S, Bulitta JB, Landersdorfer C, Forrest A, Li J, Nation RL, Tsuji BT. Polymyxin combinations: pharmacokinetics and pharmacodynamics for rationale use. Pharmacotherapy. 2015 Jan;35(1):34-42. doi: 10.1002/phar.1537. Review. PubMed PMID: 25630411; PubMed Central PMCID: PMC5215892. 4: Meng M, Wang L, Liu S, Jaber OM, Gao L, Chevrette L, Reuschel S. Simultaneous quantitation of polymyxin B1, polymyxin B2 and polymyxin B1-1 in human plasma and treated human urine using solid phase extraction and liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Feb 15;1012-1013:23-36. doi: 10.1016/j.jchromb.2016.01.013. Epub 2016 Jan 12. PubMed PMID: 26803416. 5: Kassamali Z, Jain R, Danziger LH. An update on the arsenal for multidrug-resistant Acinetobacter infections: polymyxin antibiotics. Int J Infect Dis. 2015 Jan;30:125-32. doi: 10.1016/j.ijid.2014.10.014. Epub 2014 Nov 5. Review. PubMed PMID: 25461655. 6: Kelesidis T, Falagas ME. The safety of polymyxin antibiotics. Expert Opin Drug Saf. 2015;14(11):1687-701. doi: 10.1517/14740338.2015.1088520. Epub 2015 Sep 12. Review. PubMed PMID: 26365594. 7: Berglund NA, Piggot TJ, Jefferies D, Sessions RB, Bond PJ, Khalid S. Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study. PLoS Comput Biol. 2015 Apr 17;11(4):e1004180. doi: 10.1371/journal.pcbi.1004180. eCollection 2015 Apr. PubMed PMID: 25885324; PubMed Central PMCID: PMC4401565. 8: Justo JA, Bosso JA. Adverse reactions associated with systemic polymyxin therapy. Pharmacotherapy. 2015 Jan;35(1):28-33. doi: 10.1002/phar.1493. Epub 2014 Sep 30. Review. PubMed PMID: 25266910. 9: Phe K, Lee Y, McDaneld PM, Prasad N, Yin T, Figueroa DA, Musick WL, Cottreau JM, Hu M, Tam VH. In vitro assessment and multicenter cohort study of comparative nephrotoxicity rates associated with colistimethate versus polymyxin B therapy. Antimicrob Agents Chemother. 2014 May;58(5):2740-6. doi: 10.1128/AAC.02476-13. Epub 2014 Feb 24. PubMed PMID: 24566187; PubMed Central PMCID: PMC3993221. 10: Thomas TA, Broun EC, Abildskov KM, Kubin CJ, Horan J, Yin MT, Cremers S. High performance liquid chromatography-mass spectrometry assay for polymyxin B1 and B2 in human plasma. Ther Drug Monit. 2012 Aug;34(4):398-405. doi: 10.1097/FTD.0b013e31825c827a. PubMed PMID: 22735673; PubMed Central PMCID: PMC3394890. 11: Bialvaei AZ, Samadi Kafil H. Colistin, mechanisms and prevalence of resistance. Curr Med Res Opin. 2015 Apr;31(4):707-21. doi: 10.1185/03007995.2015.1018989. Epub 2015 Mar 19. Review. PubMed PMID: 25697677. 12: Abodakpi H, Gohlke J, Chang KT, Chow DS, Tam VH. Analytical and functional determination of polymyxin B protein binding in serum. Antimicrob Agents Chemother. 2015 Nov;59(11):7121-3. doi: 10.1128/AAC.01815-15. Epub 2015 Aug 31. PubMed PMID: 26324262; PubMed Central PMCID: PMC4604353. 13: Keirstead ND, Wagoner MP, Bentley P, Blais M, Brown C, Cheatham L, Ciaccio P, Dragan Y, Ferguson D, Fikes J, Galvin M, Gupta A, Hale M, Johnson N, Luo W, McGrath F, Pietras M, Price S, Sathe AG, Sasaki JC, Snow D, Walsky RL, Kern G. Early prediction of polymyxin-induced nephrotoxicity with next-generation urinary kidney injury biomarkers. Toxicol Sci. 2014 Feb;137(2):278-91. doi: 10.1093/toxsci/kft247. Epub 2013 Nov 4. PubMed PMID: 24189134. 14: Nilsson A, Goodwin RJ, Swales JG, Gallagher R, Shankaran H, Sathe A, Pradeepan S, Xue A, Keirstead N, Sasaki JC, Andren PE, Gupta A. Investigating nephrotoxicity of polymyxin derivatives by mapping renal distribution using mass spectrometry imaging. Chem Res Toxicol. 2015 Sep 21;28(9):1823-30. doi: 10.1021/acs.chemrestox.5b00262. Epub 2015 Sep 4. PubMed PMID: 26293472. 15: Yun B, Azad MA, Wang J, Nation RL, Thompson PE, Roberts KD, Velkov T, Li J. Imaging the distribution of polymyxins in the kidney. J Antimicrob Chemother. 2015 Mar;70(3):827-9. doi: 10.1093/jac/dku441. Epub 2014 Nov 5. PubMed PMID: 25377569; PubMed Central PMCID: PMC4319485. 16: Sandri AM, Landersdorfer CB, Jacob J, Boniatti MM, Dalarosa MG, Falci DR, Behle TF, Bordinhão RC, Wang J, Forrest A, Nation RL, Li J, Zavascki AP. Population pharmacokinetics of intravenous polymyxin B in critically ill patients: implications for selection of dosage regimens. Clin Infect Dis. 2013 Aug;57(4):524-31. doi: 10.1093/cid/cit334. Epub 2013 May 22. PubMed PMID: 23697744. 17: Azad MA, Roberts KD, Yu HH, Liu B, Schofield AV, James SA, Howard DL, Nation RL, Rogers K, de Jonge MD, Thompson PE, Fu J, Velkov T, Li J. Significant accumulation of polymyxin in single renal tubular cells: a medicinal chemistry and triple correlative microscopy approach. Anal Chem. 2015 Feb 3;87(3):1590-5. doi: 10.1021/ac504516k. Epub 2015 Jan 15. PubMed PMID: 25553489; PubMed Central PMCID: PMC4318625. 18: Tarquinio K, Confreda K, Shurko J, LaPlante K. Activities of tobramycin and polymyxin E against Pseudomonas aeruginosa biofilm-coated medical grade endotracheal tubes. Antimicrob Agents Chemother. 2014;58(3):1723-9. doi: 10.1128/AAC.01178-13. Epub 2013 Dec 30. PubMed PMID: 24379207; PubMed Central PMCID: PMC3957908. 19: Kassamali Z, Danziger L. To B or not to B, that is the question: is it time to replace colistin with polymyxin B? Pharmacotherapy. 2015 Jan;35(1):17-21. doi: 10.1002/phar.1510. Epub 2014 Oct 24. Review. PubMed PMID: 25346395. 20: Nation RL, Li J, Cars O, Couet W, Dudley MN, Kaye KS, Mouton JW, Paterson DL, Tam VH, Theuretzbacher U, Tsuji BT, Turnidge JD. Framework for optimisation of the clinical use of colistin and polymyxin B: the Prato polymyxin consensus. Lancet Infect Dis. 2015 Feb;15(2):225-34. doi: 10.1016/S1473-3099(14)70850-3. Epub 2014 Oct 21. PubMed PMID: 25459221.