| Identification | Back Directory | [Name]
(4R)-4-[(3R,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]
2276-94-0 | [Synonyms]
5α-CHOLANIC ACID-3α-OL
5α-CHOLANIC ACID-3α-OL
Allocholic Acid Impurity 2
Allolithocholic acid (ALCA)
Cholan-24-oic acid, 3-hydroxy-, (3α,5α)-
(4R)-4-[(3R,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 | [MDL Number]
MFCD00870682 | [MOL File]
2276-94-0.mol | [Molecular Weight]
376.58 |
| Chemical Properties | Back Directory | [Melting point ]
204-208 °C | [Boiling point ]
511.0±23.0 °C(Predicted) | [density ]
1.073±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C (-15°C to -25°C) | [solubility ]
DMSO: Slightly soluble; Ethanol: Slightly soluble; Methanol: Slightly soluble | [form ]
A solid | [pka]
4.76±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
Allolithocholic acid is used as steroid compound as T regulatory lymphocyte modulators and uses for treatment of inflammatory or autoimmune disorders. | [Definition]
ChEBI: Allolithocholic acid is a bile acid. | [Biological Activity]
Allolithocholic acid is a secondary allomonohydroxy bile acid.1 It activates large-conductance calcium-activated potassium channels (BK/KCas; EC50 = 44.21 µM in Xenopus oocytes expressing the rat channel). Fecal levels of allolithocholic acid are increased in patients with colorectal cancer.2 Allolithocholic acid has also been found in the urine of infants with biliary atresia.3 | [References]
1. Bukiya, A.N., McMillan, J., Parrill, A.L., et al. Structural determinants of monohydroxylated bile acids to activate β1 subunit-containing BK channels. J. Lipid Res. 49(11), 2441-2451 (2008).https://doi.org/10.1194/jlr.M800286-JLR200
2. Tadano, T., Kanoh, M., Kondoh, H., et al. Kinetic analysis of bile acids in the feces of colorectal cancer patients by gas chromatography-mass spectrometry (GC-MS). Rinsho Byori. 55(5), 417-427 (2007).
3. Makino, I., Sjövall, J., Norman, A., et al. Excretion of 3β-hydroxy-5-cholenoic and 3ɑ-hydroxy-5ɑ-cholanoic acids in urine of infants with biliary atresia. FEBS Lett. 15(2), 161-164 (1971).https://doi.org/10.1016/0014-5793(71)80047-9 |
|
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
| Company Name: |
TargetMol
|
| Tel: |
400-821-0310 15002144251 |
| Website: |
www.targetmol.cn/ |
|