CAS 80049-87-2 2'-Deoxy-2'-fluoroinosine (HCID 135435172)

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Grundinformationen

CAS: 80049-87-2
Standard-SMILES: O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
InChIKey: NRVOTDBYJXFINS-QYYRPYCUSA-N
Summenformel: C10H11FN4O4
Durchschnittliche Molmasse: 270,22 g/mol
Monoisotopische Masse: 270,07643305

Namen und Bezeichner

Bevorzugter Name: 2'-Deoxy-2'-fluoroinosine
IUPAC: 9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Englischer Name: 2'-Deoxy-2'-fluoroinosine
Summenformel: C10H11FN4O4
Molmasse: 270.22

Namen und Synonyme

80049-87-22'-Deoxy-2'-fluoroinosine2'-DfinInosine, 2'-deoxy-2'-fluoro-DTXSID90230051RefChem:80247DTXCID901525422'-FLUORO-2'-DEOXYINOSINE2'-Deoxy-2'-fluoro-D-inosineInosine,2'-deoxy-2'-fluoro-MFCD097508609-[(2R,3R,4R,5R)-3-FLUORO-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-1H-PURIN-6-ONE

Weitere Namen anzeigen

2’-Fluoro-2’-deoxyinosine2′-Deoxy-2′-fluoroinosine, CAS 80049-87-29-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-6H-purin-6-one

9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ol9-(2-Deoxy-2-fluoro-beta-D-ribofuranosyl)hypoxanthineC10H11FN4O49-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol2'-deoxy-2'-fluoro-inosine2'-F-dIorb1907470

Datenbank-Bezeichner

CAS: 80049-87-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 409

Physikochemische Eigenschaften

storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Powder
Farbe: White to Off-white
InChI: InChI=1S/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5-,7-,10-/m1/s1
InChIKey: NRVOTDBYJXFINS-QYYRPYCUSA-N
SMILES: OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)O)N=C2)[C@H](F)[C@@H]1O

Sicherheit und Regulatorisches

Sicherheitsdaten

hs_code: 2934999090

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung2'-Deoxy-2'-fluoroinosine is a nucleoside analogue located in the nucleus of cells and is stable under both neutral and acidic conditions. Studies have shown that 2‘-Deoxy-2’-fluoroinosine has anti-tumour activity and can be used in the treatment of cancer. The mechanism of action may be related to the inhibition of DNA or protein production, which in turn leads to cell death.

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