7,12-diketo-LCA
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MedKoo CAT#: 463997

CAS#: 517-33-9

Description: 7,12-Diketolithocholic acid is a bile acid. Plasma levels of 7,12-diketolithocholic acid are increased in patients with cholestasis.


Chemical Structure

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7,12-diketo-LCA
CAS# 517-33-9

Theoretical Analysis

MedKoo Cat#: 463997
Name: 7,12-diketo-LCA
CAS#: 517-33-9
Chemical Formula: C24H36O5
Exact Mass: 404.26
Molecular Weight: 404.547
Elemental Analysis: C, 71.26; H, 8.97; O, 19.77

Price and Availability

Size Price Availability Quantity
1mg USD 350 2 Weeks
5mg USD 950 2 Weeks
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Synonym: 7,12-diketo-LCA; 3-hydroxy-7,12-Diketocholanoic Acid; 7,12-Dioxolithocholic Acid; 7,12-Diketolithocholic Acid;

IUPAC/Chemical Name: (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

InChi Key: MAFJMPFLJJCSTB-FQBQTYDJSA-N

InChi Code: InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1

SMILES Code: O=C1[C@]2([C@]3([C@@](C(C[C@@]2([C@]4(C)[C@]([H])(C1)C[C@H](O)CC4)[H])=O)(C)[C@]([H])(CC3)[C@H](C)CCC(O)=O)[H])[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: 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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 404.55 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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