ChemicalBook--->CAS DataBase List--->112076-61-6

112076-61-6

112076-61-6 Structure

112076-61-6 Structure
IdentificationBack Directory
[Name]

DEOXYCHOLIC-2,2,4,4-D4 ACID
[CAS]

112076-61-6
[Synonyms]

Deoxycholic acid-D
Deoxycholic-d4 Acid
2H4]-Deoxycholic acid
DEOXYCHOLIC-2,2,4,4-D4 ACID
Deoxycholic acid-2,2,4,4-d4
Deoxycholic Acid-[d4] (Solution)
Deoxycholic Acid-d4 MaxSpec? Standard
DEOXYCHOLIC ACID (2,2,4,4-D4, 98%) 100 UG/ML IN METHANOL
[Molecular Formula]

C24H40O4
[MDL Number]

MFCD00209707
[MOL File]

112076-61-6.mol
[Molecular Weight]

392.58
Chemical PropertiesBack Directory
[Melting point ]

171-174 °C
[Fp ]

9℃
[storage temp. ]

-20°C
[solubility ]

DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChIKey]

KXGVEGMKQFWNSR-FCSCGBJGSA-N
[SMILES]

[H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O
[CAS Number Unlabeled]

83-44-3
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Description]

Deoxycholic acid-d4 (DCA-d4) is intended for use as an internal standard for the quantification of DCA (Item Nos. 20756 | 18231) by GC- or LC-MS. DCA is a secondary bile acid that is formed via microbial transformation of cholic acid in the colon. It can be conjugated to glycine or taurine to produce glycodeoxycholic acid (GDCA; ) or taurodeoxycholic acid (TDCA; ), respectively, in hepatocytes. DCA (0.2% v/v) inhibits spore germination induced by taurocholic acid (TCA; ) in seven C. difficile strains, as well as inhibits growth and decreases the cytotoxicity of C. difficile culture supernatants to Vero cells when used at a concentration of 0.02% v/v. It inhibits ionizing radiation-induced p53-dependent transcription in a reporter assay using HCT116 cells when used at a concentration of 200 μM. Fecal and intestinal tissue levels of DCA are increased in a rat model of high-fat diet-induced obesity compared with rats fed a normal diet. Increased serum DCA levels have been found in patients with colorectal cancer.
[Uses]

Deoxycholic-2,2,4,4-d4 Acid (CAS# 112076-61-6) is a useful isotopically labeled research compound.
[Definition]

ChEBI: Deoxycholic acid-2,2,4,4-d4 is a deuterated compound and a deoxycholic acid.
[References]

[1] RAJANI THANISSERY  Casey M T  Jenessa A Winston. Inhibition of spore germination, growth, and toxin activity of clinically relevant C. difficile strains by gut microbiota derived secondary bile acids[J]. Anaerobe, 2017, 45: Pages 86-100. DOI: 10.1016/j.anaerobe.2017.03.004
[2] D. QIAO. Deoxycholic acid suppresses p53 by stimulating proteasome-mediated p53 protein degradation.[J]. Carcinogenesis, 2001, 22 6 1: 957-964. DOI: 10.1093/carcin/22.6.957
[3] HONG LIN. Alterations of Bile Acids and Gut Microbiota in Obesity Induced by High Fat Diet in Rat Model[J]. Journal of Agricultural and Food Chemistry, 2019, 67 13: 3624-3632. DOI: 10.1021/acs.jafc.9b00249
[4] EKKEHARD BAYERD?RFFER . Increased serum deoxycholic acid levels in men with colorectal adenomas[J]. Gastroenterology, 1993, 104 1: Pages 145-151. DOI: 10.1016/0016-5085(93)90846-5
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