Methyl Lithocholate-d7

CAS: 1249-75-8

Ref. TR-M313422

Product Information

• Name: Methyl Lithocholate-d7
• Synonyms: Lithocholic Acid Methyl Ester-d7, Methyl 3alpha-Hydroxy-5beta-cholan-24-oate-d7, Methyl 3alpha-Hydroxy-5beta-cholanoate-d7, 3alpha-Hydroxy-5beta-cholanic Acid-d7, 3alpha-Hydroxy-5beta-cholan-24-oic Acid Methyl Ester-d7, (3alpha,5beta)-3-Hydroxycholan-24-oic Acid Methyl Ester-d7, 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, Methyl lithocholate

Description

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);

• Brand: TRC

Chemical properties

• Molecular weight: 397.642
• Formula: C₂₅D₇H₃₅O₃
• Color/Form: 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/i10D2,11D2,15D2,18D
• InChI key: InChIKey=YXZVCZUDUJEPPK-DIICHIHCSA-N
• SMILES: [2H]C([2H])(C[C@@H](C)C1CC[C@H]2[C@@H]3CC[C@@H]4C([2H])([2H])[C@]([2H])(O)C([2H])([2H])C[C@]4(C)C3CC[C@]12C)C(=O)OC