Methyl Lithocholate

CAS: 1249-75-8

Ref. TR-M313420

Información del producto

• Nombre: Methyl Lithocholate
• Sinónimos: methyl (4R)-4-[(3R,5R,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]pentanoate, 5beta-Cholan-24-oic acid, 3alpha-hydroxy-, methyl ester (8CI), 5β-Cholan-24-oic acid, 3α-hydroxy-, methyl ester, 5β-Cholanic acid, 3α-hydroxy-, methyl ester, Cholan-24-oic acid, 3-hydroxy-, methyl ester, (3alpha,5beta)- (9CI), Cholan-24-oic acid, 3-hydroxy-, methyl ester, (3α,5β)-, Lithocholic acid methyl ester, Methyl (3Alpha,5Beta)-3-Hydroxycholan-24-Oate, Methyl 3-Hydroxycholan-24-Oate, Methyl 3alpha-hydroxy-5beta-cholan-24-oate, Methyl 3α-hydroxy-5β-cholan-24-oate, Methyl 3α-hydroxy-5β-cholanoate, Nsc 63558, Nsc 8116, methyl (3beta,5alpha,17alpha,20S)-3-hydroxycholan-24-oate

Descripción

Applications Methyl Lithocholate is an derivative of Lithocholic Acid (L469180),a cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.
References Roleira, F.M., et al.: Lett. Drug. Design. Discovery., 7, 610 (2010);

• Marca: TRC

Propiedades químicas

• Peso molecular: 390.60
• Fórmula: C₂₅H₄₂O₃
• Color/Forma: Neat
• InChI: InChI=1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
• Clave InChI: InChIKey=YXZVCZUDUJEPPK-GANBIQKCSA-N
• SMILES: COC(=O)CC[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C