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3-Deaza-2'-deoxyadenosine

CAT: 0931-T37675-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37675-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78582-17-9
Target
HSV, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
3-Deaza-2'-deoxyadenosine strongly inhibits lymphocyte-mediated cytolysis with low cytotoxicity when applied at 100 μM. This nucleoside can also be used to evaluate the role of the adenine N3 nitrogen in DNA structure and function.
Smiles
NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)C3)=CC=N1
Molecular Formula
C11H14N4O3
Molecular Weight
250.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Deaza-2'-deoxyadenosine

structure given in first source

CAS Number78582-17-9
PubChem CID122636
IUPAC Name(2R,3S,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC11H14N4O3
Molecular Weight250.25
XLogP-0.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity306
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C=CN=C3N)CO)O
InChI
InChI=1S/C11H14N4O3/c12-11-10-6(1-2-13-11)15(5-14-10)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)/t7-,8+,9+/m0/s1
InChIKey
KMQPIRJQPAVGJL-DJLDLDEBSA-N
Chemical Structure
2D Structure
2D structure of 3-Deaza-2'-deoxyadenosine
CAS: 78582-17-9
CID: 122636
Formula: C11H14N4O3
MW: 250.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.25
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass250.10659032
Monoisotopic Mass250.10659032
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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