CAS 1249-75-8

Methyl lithocholate

Description:

Methyl lithocholate is a bile acid derivative, specifically a methyl ester of lithocholic acid. It is characterized by its hydrophobic nature due to the presence of a steroid backbone, which consists of four fused carbon rings. This compound typically exhibits a high melting point and is relatively insoluble in water, reflecting its lipophilic properties. Methyl lithocholate plays a role in various biological processes, including the emulsification of fats and the absorption of fat-soluble vitamins in the intestine. It is also involved in signaling pathways and may have implications in metabolic disorders. The compound can be synthesized through chemical modifications of lithocholic acid, and its structure includes a methyl group attached to the hydroxyl group of the lithocholic acid. As with many bile acids, it may exhibit biological activity, influencing cholesterol metabolism and gut microbiota composition. Safety and handling precautions should be observed, as with any chemical substance, due to potential biological effects.

Formula: C₂₅H₄₂O₃

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

InChI key: InChIKey=YXZVCZUDUJEPPK-ULCLHEGSSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]

Synonyms:

• 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

Cholic Acid Impurity 99

CAS: 1249-75-8

Formula: C₂₅H₄₂O₃

Molecular weight: 390.61

Ref: 4Z-C-57189

Methyl Lithocholate

Controlled Product

CAS: 1249-75-8

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);

Formula: C₂₅H₄₂O₃

Color and Shape: Neat

Molecular weight: 390.60

Ref: TR-M313420

Methyl Lithocholate-d7

Controlled Product

CAS: 1249-75-8

Applications Isotope labelled 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);

Formula: C₂₅D₇H₃₅O₃

Color and Shape: Neat

Molecular weight: 397.642

Ref: TR-M313422