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ChemicalBook--->CAS DataBase List--->2276-93-9

2276-93-9

2276-93-9 Structure

2276-93-9 Structure
IdentificationBack Directory
[Name]

(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[CAS]

2276-93-9
[Synonyms]

Isoallolithocholic acid
Alloisolithocholic Acid
5a-CHOLANIC ACID-3-β-OL
5a-Cholanic Acid-3-ol-d2
5α-Cholanic Acid-3β-ol D2
Isoallolithocholic Acid (5-alfa-Cholanic Acid-3-beta-ol)
(R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[Molecular Formula]

C24H40O3
[MOL File]

2276-93-9.mol
[Molecular Weight]

376.57
Chemical PropertiesBack Directory
[Melting point ]

>170°C (dec.)
[Boiling point ]

511.0±23.0 °C(Predicted)
[density ]

1.073±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C, Inert atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

White to Off-White
Hazard InformationBack Directory
[Uses]

Isoallolithocholic Acid is used as a steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.
[Definition]

ChEBI: Isoallolithocholic acid is a bile acid.
[in vivo]

Isoallolithocholic acid (0.03%; in diet; 7 days) enhances Treg cells in B6 mice[1].

Animal Model:Segmented filamentous bacteria (SFB)-colonized Jax-B6 mice[1]
Dosage:0.03% (w/w)
Administration:In diet, 7 days
Result:Was insufficient to enhance Treg percentages both at steady state and following anti-CD3 treatment alone. Significantly enhanced the Treg population in mice treated with anti-CD3 compared to control diet in combination with 0.3% (w/w) 3-oxolithocholic acid (3-oxoLCA). Reduced the number of CD45.1+ T effector cells.
[storage]

Store at -20°C
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