CAS 10538-55-3

methyl (4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-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

Description:

The chemical substance known as methyl (4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-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, with the CAS number 10538-55-3, is a complex organic compound characterized by its steroid-like structure. It features multiple chiral centers, indicating that it exists in specific stereoisomeric forms, which can significantly influence its biological activity and interactions. The presence of hydroxyl groups suggests potential for hydrogen bonding, which may enhance solubility in polar solvents and influence its reactivity. The ester functional group (pentanoate) indicates that it can undergo hydrolysis, making it relevant in biochemical processes. This compound is often studied in the context of pharmacology and biochemistry due to its structural similarity to steroid hormones, which may imply potential hormonal activity or therapeutic applications. Its intricate structure and stereochemistry make it a subject of interest in medicinal chemistry and drug design.

Formula: C₂₅H₄₂O₄

InChI: InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1

InChI key: InChIKey=GRQROVWZGGDYSW-ZQMFMVRBSA-N

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

Synonyms:

• 5β-Cholan-24-oic acid, 3α,7β-dihydroxy-, methyl ester
• 5β-Cholanic acid, 3α,7β-dihydroxy-, methyl ester
• Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-
• Deoxyursocholic acid methyl ester
• Methyl 3α,7β-dihydroxy-5β-cholanoate
• Methyl ursodeoxycholate
• Ursodeoxycholic acid methyl ester

Ursodeoxycholic Acid EP Impurity G (Chenodeoxycholic Acid EP Impurity G)

CAS: 10538-55-3

Formula: C₂₅H₄₂O₄

Color and Shape: White To Off-White Solid

Molecular weight: 406.61

Ref: 4Z-U-0212

Methyl 3?,7?-Dihydroxy-5?-cholan-24-oate

Controlled Product

CAS: 10538-55-3

Formula: C₂₅H₄₂O₄

Color and Shape: Neat

Molecular weight: 406.60

Ref: 86-MM0835.07

Ursodeoxycholic Acid EP Impurity G

CAS: 10538-55-3

Formula: C₂₅H₄₂O₄

Molecular weight: 406.6

Ref: ST-EA-CP-U1007

Chenodeoxycholic Acid EP Impurity G

CAS: 10538-55-3

Formula: C₂₅H₄₂O₄

Molecular weight: 406.61

Ref: ST-EA-CP-C93007

Ursodeoxycholic Acid Methyl Ester

CAS: 10538-55-3

Formula: C₂₅H₄₂O₄

Color and Shape: Neat

Molecular weight: 406.60

Ref: TR-U850050

Ursodeoxycholic acid methyl ester

Controlled Product

CAS: 10538-55-3

Ursodeoxycholic acid methyl ester is a bile acid that is produced from ursodeoxycholic acid. It is used as a drug to dissolve gallstones and reduce the risk of recurrent gallstones in patients who have had a cholecystectomy. Ursodeoxycholic acid methyl ester also reduces cholesterol levels by preventing its reabsorption in the small intestine and enhancing its excretion in the bile. This agent has been shown to modulate cell proliferation and differentiation, especially in cerebral tissue and muscle cells. Ursodeoxycholic acid methyl ester can be synthesized from ursodeoxycholic acid by saponification with base followed by methylation with methanol. The synthesis of this agent involves an elimination reaction between c1-c3 alcohols, which leads to impurities such as formaldehyde, acetone, glycerol, acetic acid, and butyric acid.

Formula: C₂₅H₄₂O₄

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 406.6 g/mol

Ref: 3D-FU28647