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MedKoo Cat#: 465674 | Name: AAA-10

Description:

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

AAA-10 is a second-generation gut-restricted bile salt hydrolase (BSH) inhibitor with enhanced potency, reduced off-target effects, and durable in vivo efficacy.

Chemical Structure

AAA-10
AAA-10
CAS#2553218-45-2 (free acid)

Theoretical Analysis

MedKoo Cat#: 465674

Name: AAA-10

CAS#: 2553218-45-2 (free acid)

Chemical Formula: C25H41FO5S

Exact Mass: 472.2659

Molecular Weight: 472.66

Elemental Analysis: C, 63.53; H, 8.74; F, 4.02; O, 16.92; S, 6.78

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 #
2553218-45-2 (free acid) 2553218-46-3 (sodium)
Synonym
AAA-10; AAA10; AAA 10;
IUPAC/Chemical Name
(3R,5R,8R,9S,10S,13R,14S,17R)-17-((S)-6-fluoro-5-oxohexan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate
InChi Key
MVPISWRWXKQVBV-WVZYDGHBSA-N
InChi Code
InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17+,19+,20-,21+,22-,23-,24-,25+/m0/s1
SMILES Code
O=S(O)(O[C@@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](CCC(CF)=O)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C1)=O
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 472.66 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: Adhikari AA, Ramachandran D, Chaudhari SN, Powell CE, Li W, McCurry MD, Banks AS, Devlin AS. A Gut-Restricted Lithocholic Acid Analog as an Inhibitor of Gut Bacterial Bile Salt Hydrolases. ACS Chem Biol. 2021 Aug 20;16(8):1401-1412. doi: 10.1021/acschembio.1c00192. Epub 2021 Jul 19. PMID: 34279901.