(3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
(3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid
CAS: 459789-99-2
Molecular Formula: C26H44O4
(3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid - Names and Identifiers
| Name | (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid |
| Synonyms | 6alph 6-Ecdca 6-ECDCA Obeticholic Acid Obeticholic acid 6-ECDCA 6-Ethylchenodeoxycholic aicd 6-Ethylchenodeoxycholic acid Obeticholic Acid(INT 747,6-ECDCA) 6alpha-Ethyl-chenodeoxycholic acid 3A, 7A -DIHYDROXY-6A -ETHYL-5B-CHOLAN-24-OIC ACID (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid |
| CAS | 459789-99-2 |
| EINECS | 810-245-2 |
| InChI | InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1 |
(3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid - Physico-chemical Properties
| Molecular Formula | C26H44O4 |
| Molar Mass | 420.63 |
| Density | 1.091 |
| Melting Point | 108-110 °C |
| Boling Point | 562.9±25.0 °C(Predicted) |
| Flash Point | 308.3°C |
| Solubility | DMSO: ≥ 33 mg/mL |
| Vapor Presure | 5.16E-15mmHg at 25°C |
| Appearance | White solid. |
| Color | White |
| pKa | 4.76±0.10(Predicted) |
| Storage Condition | -20°C |
| Stability | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months. |
| Refractive Index | 1.529 |
| Use | This product is for scientific research only and shall not be used for other purposes. |
| In vitro study | In HuH7 cells, objective Acid is a potent FXR agonist with an EC50 of 85 nM. |
| In vivo study | In a rat model of cholestasis, objective Acid promotes bile flow and protects hepatocytes from acute necrosis caused by LCA. In WD-fed DBA mice, objective Acid (p.o.) ameliorates proteinuria and renal structural changes, and modulates renal inflammation and oxidative stress. In thioacetamide (TAA)-poisoned and bile duct-ligated (BDL) rats, objective Acid (30 mg/kg p.o.) by reducing the total IHVR, the FXR downstream signaling pathway is restored and portal pressure is reduced without the development of deleterious systemic hypotension. |
(3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid - Reference
| Reference Show more | 1. Zhang, Guoqiang, et al. "Hesperidin alleviates cholestasis via activation of the farnesoid X receptor in vitro and in vivo." European journal of pharmacology 885 (2020): 173498.https://doi.org/10.1016/j.ejphar.2020.173498 2. [IF=4.432] Guoqiang Zhang et al."Hesperidin alleviates cholestasis via activation of the farnesoid X receptor in vitro and in vivo."Eur J Pharmacol. 2020 Oct;885:173498 3. [IF=3.603] Dong Si et al."Functional Amphiphilic Poly(2-oxazoline) Block Copolymers as Drug Carriers: the Relationship between Structure and Drug Loading Capacity."Chinese J Polym Sci. 2021 Jul;39(7):865-873 |
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