MedKoo Cat#: 464489 | Name: 3-keto FA
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Description:

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

3-keto Fusidic acid (3-keto FA) is an active metabolite of the antibiotic fusidic acid. 3-keto FA is active against M. tuberculosis (MIC99 = 1.25 µM).

Chemical Structure

3-keto FA
3-keto FA
CAS#4680-37-9

Theoretical Analysis

MedKoo Cat#: 464489

Name: 3-keto FA

CAS#: 4680-37-9

Chemical Formula: C31H46O6

Exact Mass: 514.3294

Molecular Weight: 514.70

Elemental Analysis: C, 72.34; H, 9.01; O, 18.65

Price and Availability

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1mg USD 450.00 2 Weeks
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Related CAS #
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Synonym
3-keto FA; 3 keto FA; 3-Oxofusidic Acid; 3 Oxofusidic Acid; 3-keto Fusidic Acid; 3 keto Fusidic Acid;
IUPAC/Chemical Name
(Z)-2-((4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-11-hydroxy-4,8,10,14-tetramethyl-3-oxohexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid
InChi Key
DEKASDKLVVYODQ-UKHRKFAVSA-N
InChi Code
InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,24-25,27,34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,24+,25-,27-,29-,30-,31-/m0/s1
SMILES Code
C[C@@]12[C@]3(C)[C@]([H])(/C([C@@H](OC(C)=O)C3)=C(CC/C=C(C)/C)/C(O)=O)C[C@@H](O)[C@]1([C@]4(C)[C@@]([H])(CC2)[C@H](C)C(CC4)=O)[H]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 514.70 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: Zhang S, Wang S, Zhang Q, Chang CW, Zhan J. Three new fusidic acid derivatives and their antibacterial activity. Bioorg Med Chem Lett. 2015 May 1;25(9):1920-4. doi: 10.1016/j.bmcl.2015.03.033. Epub 2015 Mar 20. PMID: 25824664; PMCID: PMC4408258. 2: Mitsuguchi H, Seshime Y, Fujii I, Shibuya M, Ebizuka Y, Kushiro T. Biosynthesis of steroidal antibiotic fusidanes: functional analysis of oxidosqualene cyclase and subsequent tailoring enzymes from Aspergillus fumigatus. J Am Chem Soc. 2009 May 13;131(18):6402-11. doi: 10.1021/ja8095976. PMID: 19415934.