2-Fluoroadenine - CAS 700-49-2

Catalog:	BB034056
Product Name:	2-Fluoroadenine
CAS:	700-49-2
Synonyms:	2-fluoro-7H-purin-6-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluoro-7H-purin-6-amine
Description:	2-Fluoroadenine (CAS# 700-49-2) is a useful research chemical.
Molecular Weight:	153.12
Molecular Formula:	C5H4FN5
Canonical SMILES:	C1=NC2=C(N1)C(=NC(=N2)F)N
InChI:	InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChI Key:	WKMPTBDYDNUJLF-UHFFFAOYSA-N
Boiling Point:	676.9 ℃ at 760 mmHg
Melting Point:	>350 ℃
Purity:	95 %
Density:	1.739 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Refrigerator
MDL:	MFCD01632749
LogP:	0.65540

Publication Number	Title	Priority Date
WO-2015196118-A1	Alternative nucleic acid molecules and uses thereof	20140619
WO-2015196128-A2	Alternative nucleic acid molecules and uses thereof	20140619
WO-2015196130-A2	Alternative nucleic acid molecules and uses thereof	20140619
US-2015353930-A1	Methods of treating a metabolic syndrome by modulating heat shock protein (hsp) 90-beta	20140606
WO-2015188198-A2	Methods of treating a metabolic syndrome by modulating heat shock protein (hsp) 90-beta	20140606

PMID	Publication Date	Title	Journal
22248391	20120223	Aberrant cyclization affords a C-6 modified cyclic adenosine 5'-diphosphoribose analogue with biological activity in Jurkat T cells	Journal of medicinal chemistry
21861932	20110824	Purine Nucleoside Phosphorylase mediated molecular chemotherapy and conventional chemotherapy: a tangible union against chemoresistant cancer	BMC cancer
21394111	20110601	Effect of expression of adenine phosphoribosyltransferase on the in vivo anti-tumor activity of prodrugs activated by E. coli purine nucleoside phosphorylase	Cancer gene therapy
19958550	20091203	Characterization of an engineered human purine nucleoside phosphorylase fused to an anti-her2/neu single chain Fv for use in ADEPT	Journal of experimental & clinical cancer research : CR
19640846	20091002	Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase	The Journal of biological chemistry

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tert-Butyl N-{9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-yl}-N-[(tert-butoxy)carbonyl]carbamate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.04507331
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.04507331
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1