4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

HCID 5645CAS 347841-46-7

Grundinformationen

Standard-SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
InChIKey
RUDATBOHQWOJDD-UHFFFAOYSA-N
Summenformel
C24H40O4
Durchschnittliche Molmasse
392,6 g/mol

Überblick

See also: Ursodeoxycholic Acid (annotation moved to); 3,7-Dihydroxycholan-24-oic acid (annotation moved to).

Namen und Bezeichner

Bevorzugter Name
4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
IUPAC
4-(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)pentanoic acid
Englischer Name
Ursodeoxycholic-2,2,4,4-d4 acid
Summenformel
C24H40O4
Molmasse
392.58

Namen und Synonyme

Urosodeoxycholic Acid EP Impurity KDeoxychenocholic acidcholan-24-oic acid, 3,7-dihydroxy-7-beta-Hydroxylithocholic acid(4R)-4-[(3S,5S,7S,8S,9S,10R,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]PENTANOIC ACID4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acidAllo-UDCA?Oprea1_287603SCHEMBL14845504HMS5079B06HMS5080C15347841-46-7
Weitere Namen anzeigen
Ursodeoxycholic-d4 AcidD4-Ursodeoxycholic Acid2H4]-Ursodeoxycholic AcidUrsodeoxycholic acid-2,2,4,4-d4Ursodeoxycholic-2,2,4,4-d4 acidUrosodeoxycholic Acid Impurity 28Ursodeoxycholic Acid-D4 (Standard)Ursodeoxycholic acid-[d4] (Solution)Ursodiol-d4 (Ursodeoxycholic Acid-d4)Ursodeoxycholic Acid-2,2,4,4-d4 (Major)
AAA56624ALBB-025013CCA84012EBC-69044s1643STL372965AKOS015998293ST013857

Datenbank-Bezeichner

CAS
347841-46-7
PubChem CID
5645
EC Number
110-134-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,9
Polarare Oberfläche (TPSA)
77,8 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
28

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals

Physikochemische Eigenschaften

storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit
DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly),
Aggregatzustand
Solid
Farbe
White to Off-White
Stabilität
Hygroscopic
CAS Number Unlabeled
128 · 128-13-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
WGK 2
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungUrsodeoxycholic 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.

VerwendenUrsodeoxycholic 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.

Anbieter35 Anbieter

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

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