2-Fluoroadenine

HCID 12790CAS 700-49-2
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Grundinformationen

Standard-SMILES
Nc1nc(F)nc2nc[nH]c12
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
Summenformel
C5H4FN5
Durchschnittliche Molmasse
153,12 g/mol
Monoisotopische Masse
153,04507335

Überblick

2-fluoroadenine is an organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine. It has a role as an antineoplastic agent. It is a member of purines and an organofluorine compound.

Namen und Bezeichner

Bevorzugter Name
2-Fluoroadenine
IUPAC
2-fluoro-7H-purin-6-amine
Englischer Name
2-Fluoroadenine
Summenformel
C5H4FN5
Molmasse
153.12

Namen und Synonyme

2-Fluoroadenine700-49-22-fluoro-7H-purin-6-amine2-Fluoro-6-aminopurine2-Fluoro-1H-purin-6-amine2-Fad1H-Purin-6-amine, 2-fluoro-SRI 774ADENINE, 2-FLUORO-Purine, 6-amino-2-fluoro-NSC 27364BRN 0610958
Weitere Namen anzeigen
2-Fluoro-9H-purin-6-amineuoroadenineTCMDC-1242832-fluoro-adeninBUTTPARK 25\01-012-Fluoroadenine>
2C8H3H4EBGNSC-27364CHEBI:72457DTXSID80220264NSC27364RefChem:472608DTXCID80142755624-159-6

Datenbank-Bezeichner

CAS
700-49-2
PubChem CID
12790
DTXSID
DTXSID80220264
ChEMBL
CHEMBL580404
ChEBI
CHEBI:72457
UNII
2C8H3H4EBG
EC Number
624-159-6
Nikkaji
J79.913K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
80,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
0
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
350 °C · >350 °C(lit.)
Siedepunkt
239.6 · 239.6±50.0 °C(Predicted)
Dichte
2.05 · 2.05±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
DMSO (Sparingly, Sonicated, Heated), Methanol (Slightly, Heated)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
hs_code
29335990
RTECS-Nr.
AU6264700
risk_code
36/37/38-22
hazard_code
Xi,Xn
hazard_note
Irritant

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Fluoroadenine is a purine nucleoside analog which has been investigated for suicide gene therapy for human malignancy. It has been used in the synthesis of heat shock protein 90 (Hsp90) inhibitors that have anticancer activity in vitro. It is also cytotoxic to CEM human leukemia cells with an IC50 value of 0.15 μM.

Verwenden2-Fluoroadenine is a fluorinated heterocyclic 2-ring compound. It is the base moiety for many carbocyclic and acyclic nucleoside analogues, which may be used in antineoplastic studies. 2-Fluoroadenine has been used as an intermediate for antineoplastic drugs such as fludarabine. fludarabine is a chemotherapy drug used in the treatment of chronic lymphocytic leukemia.

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 2-fluoroadenine is an organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine. It has a role as an antineoplastic agent. It is an organofluorine compound and a member of purines.

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