MedKoo Cat#: 525766 | Name: BAS00127538

Description:

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

BAS00127538 is the first small molecule inhibitor of Lipid II.

Chemical Structure

BAS00127538
BAS00127538
CAS#110673-34-2

Theoretical Analysis

MedKoo Cat#: 525766

Name: BAS00127538

CAS#: 110673-34-2

Chemical Formula: C31H28BF4NO

Exact Mass: 517.2200

Molecular Weight: 517.37

Elemental Analysis: C, 71.97; H, 5.46; B, 2.09; F, 14.69; N, 2.71; O, 3.09

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 #
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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
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).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 517.37 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: 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.