(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

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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 Suppliers list
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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 manufacturers
(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:5a-Cholanic Acid-3-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;5a-CHOLANIC ACID-3-β-OL;5α-Cholanic Acid-3β-ol D2;EPIALLOLITHOCHOLIC ACID;Cholan-24-oic acid, 3-hydroxy-, (3β,5α)-;5α-CHOLANIC ACID-3β-OL
CAS:2276-93-9
MF:C24H40O3
MW:376.57
EINECS:
Product Categories:
Mol File:2276-93-9.mol
(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 Structure
(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)
pka4.76±0.10(Predicted)
form Solid
color White to Off-White
InChIKeySMEROWZSTRWXGI-XBESLWPFSA-N
SMILES[H][C@@]12[C@]([C@](CC[C@H](O)C3)(C)[C@@]3([H])CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
(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
UsesIsoallolithocholic Acid is used as a steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders.
DefinitionChEBI: 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 acid Preparation Products And Raw materials
Preparation ProductsAllolithocholic acid
Tag:(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
Glycoursodeoxycholic-2,2,4,4-d4 acid Taurolithocholic acid sodium salt Ursodeoxycholic-2,2,4,4-d4 acid Ursodeoxycholic Acid-d5 Glycoursodeoxycholic Acid Tauroursodeoxycholic acid (4R)-4-[(3S,5S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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 Taurolithocholic-d4 Acid 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid