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2-Fluoroadenine

CAT: 0013-GTR19216682-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216682-02Size:1 g
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Description
2-Fluoroadenine has toxicity in nonproliferating and proliferating tumor cells. 2-Fluoroadenine can be used for anticancer studies. (In Vitro) :In Balb-3T3 cells, 2-Fluoroadenine (0.22, 2.2 and 22 μM; 30 hours) inhibits protein, RNA, and DNA syntheses. In CEM cells, 2-Fluoroadenine (2 μM; 4 hours) inhibits CEM cell growth by targeting one or more enzymes involved in either RNA or protein synthesis. In nonproliferating MRC-5 cells, 2-Fluoroadenine (0-1000 μM; 96 hours) exhibits cytotoxicity.
CAS Number
700-49-2
Product Name Alternative
NSC 27364 | 2- Fluoro-6-Aminopurine
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 20.83 mg/mL (136.04 mM)
Smiles
Nc1[nH]c (F) nc2ncnc12
Molecular Formula
C5H4FN5
Molecular Weight
153.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-Fluoroadenine

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.

CAS Number700-49-2
PubChem CID12790
IUPAC Name2-fluoro-7H-purin-6-amine
Molecular FormulaC5H4FN5
Molecular Weight153.12
XLogP-0.1
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1=NC2=NC(=NC(=C2N1)N)F
InChI
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey
WKMPTBDYDNUJLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroadenine
CAS: 700-49-2
CID: 12790
Formula: C5H4FN5
MW: 153.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.12
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass153.04507331
Monoisotopic Mass153.04507331
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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H 038-0052'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt

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