우르소데옥시콜릭-2,2,4,4-D4산
우르소데옥시콜릭-2,2,4,4-D4산 · 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 · Ursodeoxycholic Acid-D4 (Standard)
식별자 및 물리적 특성
| CAS No. | 347841-46-7 |
|---|---|
| 분자식 | C24H40O4 |
| 평균 분자량 | 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 |
| 현지명 | 우르소데옥시콜릭-2,2,4,4-D4산 |
화학 및 물리적 성질
| XLogP | 4.9 |
|---|---|
| 극성 표면적 | 77.8 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 605 |
| 의약품 | Pharmaceuticals |
| 저장 조건 | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| 용해도 | DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨), |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| 안정성 | 흡습성 |
| CAS Number Unlabeled | 128-13-2 |
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | WGK 2 |
| 위험 등급 | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
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.
용도
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.