CymitQuimica logo

CAS 1184-20-9

:

Methyl (3α,5β,6α)-3,6-bis[[(4-methylphenyl)sulfonyl]oxy]cholan-24-oate

Description:
Methyl (3α,5β,6α)-3,6-bis[[(4-methylphenyl)sulfonyl]oxy]cholan-24-oate, with CAS number 1184-20-9, is a synthetic organic compound belonging to the class of bile acid derivatives. This compound features a cholane backbone, which is characteristic of bile acids, and is modified with sulfonate ester groups that enhance its solubility and reactivity. The presence of the methylphenylsulfonyl groups suggests potential applications in medicinal chemistry, particularly in drug design and development, due to their ability to interact with biological targets. The structural configuration, indicated by the stereochemical descriptors (3α,5β,6α), implies specific spatial arrangements that can influence the compound's biological activity and pharmacokinetics. Additionally, the methyl ester functional group at the 24-position may affect its lipophilicity and membrane permeability. Overall, this compound's unique structural features make it a subject of interest in various chemical and pharmaceutical research fields, particularly in the exploration of bile acid analogs and their therapeutic potentials.
Formula:C39H54O8S2
InChI:InChI=1S/C39H54O8S2/c1-25-7-12-29(13-8-25)48(41,42)46-28-19-21-39(5)34-20-22-38(4)32(27(3)11-18-37(40)45-6)16-17-33(38)31(34)24-36(35(39)23-28)47-49(43,44)30-14-9-26(2)10-15-30/h7-10,12-15,27-28,31-36H,11,16-24H2,1-6H3/t27-,28-,31+,32-,33+,34+,35+,36+,38-,39-/m1/s1
InChI key:InChIKey=VLWUGOWENZPUIF-UXSAIDSISA-N
SMILES:C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(OC)=O)C)(CC4)[H])[H])(C[C@H](OS(=O)(=O)C5=CC=C(C)C=C5)[C@@]1(C[C@H](OS(=O)(=O)C6=CC=C(C)C=C6)CC2)[H])[H])[H]
Synonyms:
  • Cholan-24-oic acid, 3,6-bis[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester, (3α,5β,6α)-
  • Methyl (3α,5β,6α)-3,6-bis[[(4-methylphenyl)sulfonyl]oxy]cholan-24-oate
  • 5β-Cholanic acid, 3α,6α-dihydroxy-, methyl ester, di-p-toluenesulfonate
  • 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-, methyl ester, di-p-toluenesulfonate
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 1 products.