ウルソデオキシコール酸-2,2,4,4-D4
ウルソデオキシコール酸-2,2,4,4-D4 · ウルソデオキシコール酸‐2,2,4,4‐D4 · Ursodeoxycholic-d4 Acid · D4-Ursodeoxycholic Acid · 2H4]-Ursodeoxycholic Acid · Ursodeoxycholic acid-2,2,4,4-d4 · Ursodeoxycholic-2,2,4,4-d4 acid · Urosodeoxycholic Acid Impurity 28
識別子と物理属性
| CAS No. | 347841-46-7 |
|---|---|
| 分子式 | C24H40O4 |
| 平均分子量 | 392.6 g/mol |
| SMILES | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C |
| InChIKey | RUDATBOHQWOJDD-UHFFFAOYSA-N |
| PubChem CID | 5645 |
| EC No. | 110-134-2 |
| 現地名 | ウルソデオキシコール酸-2,2,4,4-D4 |
化学・物理的性質
| XLogP | 4.9 |
|---|---|
| 極性表面積 | 77.8 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 28 |
| 形式電荷 | 0 |
| 複雑度 | 605 |
| 医薬品 | Pharmaceuticals |
| 貯蔵条件 | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| 溶解度 | DMSO(微量)、エタノール(微量)、メタノール(微量)、 |
| 外観・状態 | 個体 |
| 色 | ホワイトからオフホワイト |
| 安定性 | Hygroscopic |
| CAS Number Unlabeled | 128-13-2 |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | WGK 2 |
| 危険等級 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 貯蔵分類 | 3 - Flammable liquids |
用途
説明
Ursodeoxycholic acid-d4 (UDCA-d4) is intended for use as an internal standard for the quantification of UDCA (Item No. 15121) by GC- or LC-MS. UDCA is a secondary bile acid formed via epimerization of chenodeoxycholic acid (CDCA; ). UDCA is also a metabolite of lithocholic acid (LCA; ) in human liver microsomes. It inhibits taurocholic acid uptake in HeLa cells expressing recombinant sodium/taurocholate cotransporting polypeptide (NTCP) with an IC50 value of 3.6 μM. UDCA (50 μM) inhibits apoptosis induced by deoxycholic acid (DCA; Item Nos. 20756 | 18231) or ethanol in primary rat hepatocytes. Dietary administration of UDCA blocks DCA-induced increases in the number of TUNEL-positive hepatocytes in rats. Formulations containing UDCA have been used in the treatment of primary biliary cirrhosis.
使用
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.