2'-Deoxy-2-fluoroadenosine

HCID 447864CAS 21679-12-9
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Grundinformationen

Standard-SMILES
Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N
Summenformel
C10H12FN5O3
Durchschnittliche Molmasse
269,23 g/mol
Monoisotopische Masse
269,09241742

Namen und Bezeichner

Bevorzugter Name
2'-Deoxy-2-fluoroadenosine
IUPAC
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Englischer Name
2'-Deoxy-2-fluoroadenosine
Summenformel
C10H12FN5O3
Molmasse
269.23

Namen und Synonyme

2'-deoxy-2-fluoroadenosine21679-12-92-FLUORO-2'-DEOXYADENOSINE2T63DT4KWUNSC-114093CHEBI:39723RefChem:80257633-655-1Adenosine,2'-deoxy-2-fluoro-2-fluorodeoxyadenosine5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OLCHEMBL1229920
Weitere Namen anzeigen
NSC 114093Metronidazole Impurity 192-Fluoro-2'-deoxyadenosine 96%2 '- deoxy-2' - fluoroadenosine
(2R,3S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol2FDAdenosine, 2'-deoxy-2-fluoro-(2R,3S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol2-fluoro-2'deoxyadenosineUNII-2T63DT4KWUSCHEMBL976990

Datenbank-Bezeichner

CAS
21679-12-9
PubChem CID
447864
ChEMBL
CHEMBL1229920
ChEBI
CHEBI:39723
UNII
2T63DT4KWU
EC Number
633-655-1
Nikkaji
J457.796E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
119 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
2
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
218 °C · 218 °C (dec.)
storage temp.
2 · 2-8°C, sealed storage, away from moisture and light
Aggregatzustand
crystals
Farbe
White to off-white
InChI
1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKey
ZWPYUXAXLRFWQC-KVQBGUIXSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
hs_code
2934999090
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Fluoro-2’-deoxyadenosine is an analog tested to the susceptibility of clinical metronidazole-resistant Trichomonas vaginalis. Also, it is one of two purine nucleoside that forms a suicide system as a powerful killing and bystander effects on tumor cells.

Anbieter30 Anbieter

Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
湖南瑞威尔生物科技有限公司15608648206 13297919155 · [email protected]

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