Basic information
- CAS
40725-89-1- Standard SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@H]1O- InChIKey
GAKDEQRUZQIUER-FMTFEUNWSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10659032
Names & identifiers
- Preferred name
- 7-(3-Deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
- IUPAC
- (2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
- English name
- 3'-Deoxytubercidin
- Molecular formula
- C11H14N4O3
- Molecular weight
- 250.26
Names & synonyms
3'-Deoxytubercidin(2R,3R,5S)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3-olNSC 124154BRN 07565857-(3-Deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(3-deoxy-beta-D-erythro-pentofuranosyl)-orb1908571SCHEMBL1738432CHEMBL2023963TNU0417(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol
Show more names
7-Deaza-3'-deoxyadenosine3’-Deoxy-7-deazaadenosine3’-Deoxytubercidin, anti-AT activity3’-Deoxytubercidin, 3’-Deoxy-7-deazaadenosine7-(3-Deoxy-β-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(3-deoxy-β-D-erythro-pentofuranosyl)-7-(3-Deoxy-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 601.3 · 601.3±55.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.60(Predicted)
Chemistry & industry
Applications
Uses7-(3-Deoxy-β-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is a purine nucleoside analogue. 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].
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Related reactions
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Compound notes
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