7-Deaza-7-i-2'-da

• CAS: 166247-63-8
• Catalog Number: ACM166247638
• Category: Other Products
• Molecular Weight: 376.15
• Molecular Formula: C11H13IN4O3
• Synonyms: 4-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidine; 7-Deaza-7-I-2-dA; 7-I-7-deaza-dATP; 7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine; 2-deoxy-7-iodotubercidin; 7-DEAZA-7-I-2-DA; (2R,3S,5R)-5-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; 4-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidine; 2′-deoxy-7-iodo-7-deazaadenosine; 7-DEAZA-7-IODO-2-DEOXYADENOSINE
• IUPAC Name: (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
• Canonical SMILES: C1C(C(OC1N2C=C(C3=C2N=CN=C3N)I)CO)O
• InChI Key: LIIIRHQRQZIIRT-XLPZGREQSA-N
• Boiling Point: 657.4±55.0 °C
• Density: 2.35±0.1 g/cm³
• Appearance: White powder
• Exact Mass: 376.00300
• pKa: 13.27±0.60

Synthetic Use

Upstream Synthesis Route 1

• 178420-94-5

• 166247-63-8

Reference: [1] Journal of the Chemical Society. Perkin Transactions 2, 1996, vol. 0, # 11, p. 2373 - 2376
[2] Synthesis, 1996, # 6, p. 726 - 730
[3] Patent: US8853373, 2014, B2, . Location in patent: Page/Page column 16
[4] Patent: WO2015/143712, 2015, A1, . Location in patent: Page/Page column 54; 55; 56

Upstream Synthesis Route 2

• 178995-71-6

• 166247-63-8

Reference: [1] Synthesis, 1996, # 6, p. 726 - 730

Upstream Synthesis Route 3

• 123148-78-7

• 166247-63-8

Reference: [1] Synthesis, 1996, # 6, p. 726 - 730

Downstream Synthesis Route 1

• 871-84-1
• 166247-63-8

• 178995-78-3

Reference: [1]Organic Letters,2008,vol. 10,p. 249 - 251
[2]Synthesis,1996,p. 726 - 730

* For details of the synthesis route, please refer to the original source to ensure accuracy.