2FA

2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL

Created:	2003-08-06
Last modified:	2020-06-05

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7 entries where 2FA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	10

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Chemical Component Summary
Name	2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms	2-FLUOROADENOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula	C₁₀ H₁₂ F N₅ O₄
Molecular Weight	285.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N
SMILES	CACTVS	3.341	Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)O)F)N
Canonical SMILES	CACTVS	3.341	Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N
InChI	InChI	1.03	InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey	InChI	1.03	HBUBKKRHXORPQB-UUOKFMHZSA-N

Drug Info: DrugBank

DrugBank ID	DB04441
Name	2-Fluoroadenosine
Groups	experimental
Synonyms	6-amino-2-fluoro-9-β-D-ribofuranosylpurine 2-Fluoroadenosine 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Categories	Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides
CAS number	146-78-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Purine nucleoside phosphorylase DeoD-type	MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682