CAS 347841-46-7

(3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d4 acid

Description:

The chemical substance known as "(3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d4 acid," with the CAS number 347841-46-7, is a derivative of bile acids, specifically a modified form of cholic acid. This compound features hydroxyl groups at the 3 and 7 positions of the steroid nucleus, which are critical for its biological activity and solubility. The presence of deuterium (d4) indicates that certain hydrogen atoms in the molecule have been replaced with deuterium isotopes, which can be useful in tracing studies and metabolic research. The structural modifications contribute to its unique properties, influencing its interaction with biological systems, including its role in lipid metabolism and potential therapeutic applications. As a bile acid derivative, it may also play a role in emulsifying fats and aiding in digestion. Overall, this compound exemplifies the complexity of steroid chemistry and its implications in biochemistry and pharmacology.

Formula: C₂₄H₄₀O₄

InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8D2,12D2

InChI key: InChIKey=RUDATBOHQWOJDD-QGCKUCIHSA-N

SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@@H]3O)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Synonyms:

• (3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d₄ acid
• Cholan-24-oic-2,2,4,4-d₄ acid, 3,7-dihydroxy-, (3α,5β,7β)-
• Ursodeoxycholic-2,2,4,4-D4 Acid
• Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3α,5β,7β)-
• (3α,5β,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d4 acid
• Ursodeoxycholic Acid-d4 MaxSpec? Standard
• Ursodeoxycholic-d4 Acid
• URSODEOXYCHOLIC ACID (2,2,4,4-D4, 98%) 95% CHEMICAL PURITY
• Urosodeoxycholic Acid Impurity 28
• (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• Ursodeoxycholic acid-[d4] (Solution)
• Ursodeoxycholic Acid-2,2,4,4-d4 (Major)
• Ursodiol-d4 (Ursodeoxycholic Acid-d4)
• URSODEOXYCHOLIC ACID (2,2,4,4-D4, 98%) 100 UG/ML IN METHANOL
• (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Ursodiol-d4 (Ursodeoxycholic Acid-d4)

CAS: 347841-46-7

Formula: C₂₄H₃₆D₄O₄

Color and Shape: White To Off-White Solid

Molecular weight: 396.60

Ref: 4Z-U-021

Ursodeoxycholic Acid-d4

CAS: 347841-46-7

Ursodeoxycholic Acid-d4

Purity: ≥98%

Molecular weight: 396.6g/mol

Ref: 54-BUP01116

Ursodeoxycholic-2,2,4,4-d4Acid

CAS: 347841-46-7

Purity: 98 atom % D

Color and Shape: White Solid

Molecular weight: 396.60

Ref: 3U-D3819

Ursodeoxycholic Acid-d4

CAS: 347841-46-7

Ursodeoxycholic Acid-d4 (Ursodeoxycholic acid-2,2,4,4-d4) is the deuterium substituent of Ursodeoxycholic acid.

Formula: C₂₄H₄₀O₄

Purity: 99.75%

Color and Shape: Solid

Molecular weight: 396.6

Ref: TM-TMIH-0590

Ursodeoxycholic Acid-d4 (Major)

Controlled Product

CAS: 347841-46-7

Formula: C₂₄₂H₄H₃₆O₄

Color and Shape: White To Off-White

Molecular weight: 396.60

Ref: TR-U850003

Ursodeoxycholic Acid-d4

Controlled Product

CAS: 347841-46-7

Applications Ursodeoxycholic Acid-d4 is a deuterated form of Ursodeoxcholic Acid (U850000), which is used as an anticholelithogenic. Ursodeoxcholic Acid is an epimer with Chenodiol with respect to the hydroxyl group at C7. Ursodeoxycholic Acid-d4 was used as an internal standard for rapid quantification of bile acids by liquid chromatography-tandem mass spectrometry.
References Tint, G.S., et al.: Gastroenterology, 91, 1007 (1986), Poupon, R.E, et al.: N. Engl. J. Med., 324, 1548 (1991), MacKenzie, P., et al.: J. Biol. Chem., 283, 36205 (2008); Scherer, M., et al.: J. Chromatogr. B, 877, 3920 (2009(

Formula: C₂₄₂H₄H₃₆O₄

Color and Shape: White To Off-White

Molecular weight: 396.60

Ref: TR-U850007

Ursodeoxycholic acid-D4

Controlled Product

CAS: 347841-46-7

Ursodeoxycholic acid (UDCA) is a bile acid that belongs to the group of secondary bile acids. UDCA is used in the treatment of gallstones, primary biliary cirrhosis, and cholestatic liver diseases. UDCA is also used in the treatment of malignant tumours due to its ability to reduce cholesterol levels. Ursodeoxycholic acid-D4 has been shown to have a beneficial effect on serum cholesterol levels and has a protective effect against liver fibrosis and hepatocarcinogenesis. UDCA-D4 has been shown to be effective for the diagnosis of pancreatic cancer, hepatobiliary cancer, and bilirubin concentration. UDCA-D4 also improves the prognosis of patients with pancreatic cancer.

Formula: C₂₄H₃₆D₄O₄

Purity: Min. 95%

Molecular weight: 396.6 g/mol

Ref: 3D-XNA84146