BAS00127538

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

MedKoo CAT#: 525766

CAS#: 110673-34-2

Description: BAS00127538 is the first small molecule inhibitor of Lipid II.


Price and Availability

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BAS00127538 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 525766
Name: BAS00127538
CAS#: 110673-34-2
Chemical Formula: C31H28BF4NO
Exact Mass: 517.22
Molecular Weight: 517.3746
Elemental Analysis: C, 71.97; H, 5.46; B, 2.09; F, 14.69; N, 2.71; O, 3.09


Synonym: BAS00127538

IUPAC/Chemical Name: 2-[(E,3E)-3-(4,6-diphenylpyran-2-ylidene)prop-1-enyl]-1,3,3-trimethylindol-1-ium tetrafluoroborate

InChi Key: HDTRYNZVQNVNEK-PPOSCGEASA-N

InChi Code: InChI=1S/C31H28NO.BF4/c1-31(2)27-18-10-11-19-28(27)32(3)30(31)20-12-17-26-21-25(23-13-6-4-7-14-23)22-29(33-26)24-15-8-5-9-16-24;2-1(3,4)5/h4-22H,1-3H3;/q+1;-1/b20-12+,26-17+;

SMILES Code: CC1(C)C(/C=C/C=C2C=C(C3=CC=CC=C3)C=C(C4=CC=CC=C4)O\2)=[N+](C)C5=C1C=CC=C5.F[B-](F)(F)F


Technical Data

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:
>2 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).

Harmonized System Code:
293490


References

1: Chauhan J, Cardinale S, Fang L, Huang J, Kwasny SM, Pennington MR, Basi K, diTargiani R, Capacio BR, MacKerell AD Jr, Opperman TJ, Fletcher S, de Leeuw EP. Towards Development of Small Molecule Lipid II Inhibitors as Novel Antibiotics. PLoS One. 2016 Oct 24;11(10):e0164515. doi: 10.1371/journal.pone.0164515. eCollection 2016. PubMed PMID: 27776124; PubMed Central PMCID: PMC5077133.

2: Pachón-Ibáñez ME, Smani Y, Pachón J. Use of adjuvants in the treatment of Acinetobacter baumannii. Expert Rev Anti Infect Ther. 2016;14(2):153-5. doi: 10.1586/14787210.2016.1126508. Epub 2015 Dec 19. PubMed PMID: 26620637.

3: Fletcher S, Yu W, Huang J, Kwasny SM, Chauhan J, Opperman TJ, MacKerell AD Jr, de Leeuw E. Structure-activity exploration of a small-molecule Lipid II inhibitor. Drug Des Devel Ther. 2015 Apr 24;9:2383-94. doi: 10.2147/DDDT.S79504. eCollection 2015. PubMed PMID: 25987836; PubMed Central PMCID: PMC4422293.

4: de Leeuw EP. Efficacy of the small molecule inhibitor of Lipid II BAS00127538 against Acinetobacter baumannii. Drug Des Devel Ther. 2014 Aug 8;8:1061-4. doi: 10.2147/DDDT.S68020. eCollection 2014. PubMed PMID: 25143710; PubMed Central PMCID: PMC4134019.

5: Varney KM, Bonvin AM, Pazgier M, Malin J, Yu W, Ateh E, Oashi T, Lu W, Huang J, Diepeveen-de Buin M, Bryant J, Breukink E, Mackerell AD Jr, de Leeuw EP. Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II. PLoS Pathog. 2013;9(11):e1003732. doi: 10.1371/journal.ppat.1003732. Epub 2013 Nov 7. Erratum in: PLoS Pathog. 2014 Dec;10(12):e1004611. PubMed PMID: 24244161; PubMed Central PMCID: PMC3820767.