1-deazaadenosine Chemical Properties

Melting point:

263-264 °C (decomp)(Solv: water (7732-18-5))

Boiling point:

674.6±65.0 °C(Predicted)

Density 

1.90±0.1 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

Soluble to 25 mM in DMSO

form 

Powder

pka

13.21±0.70(Predicted)

color 

White to off-white

InChI

InChI=1/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/s3

InChIKey

NVUDDRWKCUAERS-SOMIAQKHNA-N

SMILES

C12N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=NC1=C(N)C=CN=2 |&1:2,4,7,9,r|

1-deazaadenosine Usage And Synthesis

Uses

1-Deazaadenosine is a potent Adenosine deaminase (ADA) inhibitor with a Ki value of 0.66 μM. 1-Deazaadenosine exhibits anti-cancer activities in vitro and has the potential to be a chemotherapy agent for lymphoproliferative disorders[1][2].

storage

Store at +4°C

References

[1] Cristalli G, et al.Adenosine deaminase inhibitors: Structure-activity relationships in 1-deazaadenosine and erythro-9-(2-hydroxy-3-nonyl)adenine analogues. Drug Dev.Res.
[2] Cristalli G, et al.Improved synthesis and antitumor activity of 1-deazaadenosine.J Med Chem. 1987 Sep;30(9):1686-8. DOI:10.1021/jm00392a029