Molecule
ID:105141
General Information
Molecular Formula
C₁₀H₁₃N₅O₂
Molecular Mass
235.24252
Exact Mass
235.10692468
Charge
0
InChI
InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1
InChIKey
FFHPXOJTVQDVMO-DSYKOEDSSA-N
Canonic Smiles
O[C@H]1C[C@@H](O[C@@H]1C)n1cnc2c1ncnc2N
Isomeric Smiles
n1c2c(ncnc2n(c1)[C@@H]1O[C@@H]([C@@H](O)C1)C)N
Calculated Properties
JChem
Acid pKa
14.065469
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.26156873
LogD (pH = 7.4)
-0.14512758
Log P
-0.14341584
Molar Refractivity
60.1412
Polarizability
23.187206
Polar Surface Area
99.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Names and Identifiers
Synonyms
2',5'-DIDEOXYADENOSINE2′,5′-Dideoxyadenosine
IUPAC name
(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-ol
IUPAC Traditional name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol
Registration numbers
CAS Number
PubChem CID
MDL Number
Properties
Product Information
Safety Information
Storage Condition
-20°C
MSDS Link
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
German water hazard class
3
Physical Property
Apperance
white solid
Solubility
DMSO: soluble
Pharmacology Properties
Gene Information
rat ... Adcy2(81636)
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
Purity: 98%
Inhibitor of adenylate cyclase.
Inhibitor of adenylate cyclase.
Biochem/physiol Actions
Cell-permeable adenylyl cyclase inhibitor. IC50 = 2.7 μM in detergent-dispersed rat brain preparations.
Reconstitution
Store at -20 °C after reconstitution.
Cell-permeable adenylyl cyclase inhibitor. IC50 = 2.7 μM in detergent-dispersed rat brain preparations.
Reconstitution
Store at -20 °C after reconstitution.
References
PubChem Literature
From Data Sources
• Holgate, S.T., et al., Proc. Natl. Acad. Sci. USA, 77 : 6800 (1980).
Bioactivity
PubChem BioAssay