9-(2-Deoxypentofuranosyl)-n8-methyl-9h-purine-6,8-diamine
Basic information
- CAS
13389-10-1- Standard SMILES
CNc1nc2c(N)ncnc2n1C1CC(O)C(CO)O1- InChIKey
QPKHFQHVYJMSQB-UHFFFAOYSA-N- Molecular formula
- C11H16N6O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.12838839
Names & identifiers
- Preferred name
- 9-(2-Deoxypentofuranosyl)-n8-methyl-9h-purine-6,8-diamine
- IUPAC
- 5-[6-amino-8-(methylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
- English name
- 2'-Deoxy-8-methylamino-adenosine
- Molecular formula
- C11H16N6O3
- Molecular weight
- 280.28
Names & synonyms
9-(2-deoxypentofuranosyl)-n8-methyl-9h-purine-6,8-diamine2'-Deoxy-8-methylaminoadenosine2'-Deoxy-8-methylamino-adenosineNSC101163NCIOpen2_006852DTXSID702953205-[6-amino-8-(methylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-olNSC-101163ND1631279-(2-Deoxypentofuranosyl)-N~8~-methyl-9H-purine-6,8-diamine2’-Deoxy-8-methylamino-adenosineAdenosine, 2'-deoxy-8-(methylamino)- (9CI)
Show more names
PYRAZOLO(1,5-A)PYRIMIDINE-3-CARBONITRILE, 4,5-DIHYDRO-4-((4-(PHENYLMETHYL)-1-PIPERAZINYL)ACETYL)-7-(3-(TRIFLUOROMETHYL)PHENYL)-
Database identifiers
- CAS
13389-10-1- PubChem CID
- 265295
- DTXSID
DTXSID70295320
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 634.5 · 634.5±65.0 °C(Predicted)
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.60(Predicted)
Chemistry & industry
Applications
Uses2'-Deoxy-8-methylamino-adenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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