2',3'-Dideoxy-3'-fluorouridine
Grundinformationen
- CAS
207128-22-1- Standard-SMILES
O=c1ccn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]1- InChIKey
BKIUEHLYJFLWPK-SHYZEUOFSA-N- Summenformel
- C9H11FN2O4
- Durchschnittliche Molmasse
- 230,19 g/mol
- Monoisotopische Masse
- 230,070285
Namen und Bezeichner
- Bevorzugter Name
- 2',3'-Dideoxy-3'-fluorouridine
- IUPAC
- 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- Englischer Name
- 2',3'-DIDEOXY-3'-FLUOROURIDINE
- Summenformel
- C9H11FN2O4
- Molmasse
- 230.19
Namen und Synonyme
2',3'-Dideoxy-3'-fluorouridine41107-56-6Fddurd3'-Fluoro-2',3'-dideoxyuridineDTXSID9010340595-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidine)-3-fluoro-2-hydroxymethyltetrahydrofuranRefChem:529152DTXCID201371305415-360-8637-011-03'-FddU207128-22-1
Weitere Namen anzeigen
FddU2’,3’-Dideoxy-3’-fluorouridine, FddU2',3'-DIDEOXY-3'-FLUOROURIDINE USP/EP/BP2’,3’-Dideoxy-3’-fluorouridine, FddU, anti-HIV1-(2,3-DIDEOXY-3-FLUORO-BETA-D-RIBOFURANOSYL)URACIL
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneMFCD001920151-((2R,4S,5R)-4-Fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneUridine, 2',3'-dideoxy-3'-fluoro-2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-3-fluoro-b-D-erythro-pentofuranosyl)-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione2 inverted exclamation mark ,3 inverted exclamation mark -Dideoxy-3 inverted exclamation mark -fluorouridine1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Datenbank-Bezeichner
- CAS
207128-22-1、41107-56-6- PubChem CID
- 162450
- DTXSID
DTXSID901034059- ChEMBL
CHEMBL244975- EC Number
- 415-360-8、637-011-0
- Nikkaji
- J400.565A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 · 184-188 °C(lit.)
- Dichte
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Aqueous Base (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly), Water
- Aggregatzustand
- Solid
- pka
- 9.39 · 9.39±0.10(Predicted)
- Farbe
- White to Off-White
- BRN
- 6064366 · 6064366
- InChI
- 1S/C9H11FN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6+,8+/m0/s1
- InChIKey
- BKIUEHLYJFLWPK-SHYZEUOFSA-N
- SMILES
- OC[C@H]1O[C@H](C[C@@H]1F)N2C=CC(=O)NC2=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9343
Hazard Classes and Categories
Muta. 2 (100%)
Muta. 2 (100%)
Germ cell mutagenicity - category 2
Muta. 2
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9343
Sicherheitsdaten
- wgk
- 1
- hs_code
- 29349990
- risk_code
- 68
- hazard_code
- Xn
- safety_code
- 22-36/37
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Muta. 2
Chemie und Industrie
Anwendungen
Verwenden2'',3''-Dideoxy-3''-fluorouridine is a reactant used in the synthesis of 5''-trityl nucleosides as inhibitors of Plasmodium falciparum dUTPase.
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