2-Fluoroadenine - CAS 700-49-2
Catalog: |
BB034056 |
Product Name: |
2-Fluoroadenine |
CAS: |
700-49-2 |
Synonyms: |
2-fluoro-7H-purin-6-amine |
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 °C at 760 mmHg |
Melting Point: | >350 °C |
Purity: | 95 % |
Density: | 1.739 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Refrigerator |
MDL: | MFCD01632749 |
LogP: | 0.65540 |
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 |
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 |
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 |
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