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(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

Basic information Safety Supplier Related

(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 Basic information

Product 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
Synonyms:
  • Isoallolithocholic acid
  • 5a-Cholanic Acid-3-ol-d2
  • Isoallolithocholic Acid (5-alfa-Cholanic Acid-3-beta-ol)
  • Alloisolithocholic Acid
  • (R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • 5a-CHOLANIC ACID-3-β-OL
  • 5α-Cholanic Acid-3β-ol D2
  • EPIALLOLITHOCHOLIC ACID
CAS:
2276-93-9
MF:
C24H40O3
MW:
376.57
Mol File:
2276-93-9.mol
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(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 Chemical Properties

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
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(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 Usage And Synthesis

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.

(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 acidSupplier

Clearsynth Labs Limited
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15221275939
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Alfa Chemistry
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021-61312847; 18021002903
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Rhawn Reagent
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400-400-1332688 18019345275
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(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(2276-93-9)Related Product Information