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MedKoo Cat#: 555590 | Name: ACT-051

Description:

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

ACT-051 is a novel (nonfluoroquinolone) bacterial type IIA topoisomerase inhibitor (NBTI).

Chemical Structure

ACT-051
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 555590

Name: ACT-051

CAS#: Unknown

Chemical Formula: C24H24FN5O5

Exact Mass: 481.1761

Molecular Weight: 481.48

Elemental Analysis: C, 59.87; H, 5.02; F, 3.95; N, 14.55; O, 16.61

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
ACT-051; ACT 051; ACT051;
IUPAC/Chemical Name
6-((5S)-5-(3-(((1S)-9-fluoro-4-oxo-1,2,9,9a-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)amino)propyl)-2-oxooxazolidin-3-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
InChi Key
CJVJULWECVMUGG-SDMXJPDVSA-N
InChi Code
InChI=1S/C24H24FN5O5/c25-15-5-3-13-4-8-20(32)30-11-16(21(15)22(13)30)26-9-1-2-14-10-29(24(33)35-14)18-7-6-17-23(27-18)28-19(31)12-34-17/h3-8,14-16,21,26H,1-2,9-12H2,(H,27,28,31)/t14-,15?,16+,21?/m0/s1
SMILES Code
O=C1N2C3=C(C=CC(F)C3[C@H](NCCC[C@@H]4OC(N(C5=NC(NC(CO6)=O)=C6C=C5)C4)=O)C2)C=C1
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
2934.99.9001
More Info
Virtual Screening Approach and Investigation of Structure–Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens Gabriele MagaròFederica PratiBarbara GarofaloGaia CorsoGuido FurlottiClaudia ApicellaGiorgina ManganoNoemi D’AtanasioDaniel RobinsonFrancesco Paolo Di GiorgioRosella Ombrato*

Preparing Stock Solutions

The following data is based on the product molecular weight 481.48 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