4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS 127880-96-0
| CAS No. | 127880-96-0 |
| Molecular Formula | C12H12IN5O3 |
| Molecular Weight | 401.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 127880-96-0), a certified reference material (molecular formula C12H12IN5O3, MW 401.16 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution, 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 401.16 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H12IN5O3 |
| Molecular Weight | 401.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 5 |
Related Amino Standards
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Recommended Standards
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- 2-Bromo-3-(2-ethylhexyl)-5-iodothiophene (stabilized withCopper chip) (CAS 1034352-30-1)
- Ethyl 4-[(5-iodopyridin-2-yl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate (CAS 339018-08-5)
- 4-(3-Amino-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CAS 1482849-02-4)
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- 2-Iodopyrimidine-5-carbonitrile (CAS 1805492-68-5)
- 2-Propenoic acid, 2-methyl-, dodecyl ester, polymer with ethenyl acetate and 2-oxiranylmethyl 2-methyl-2-propenoate (CAS 72812-43-2)
- 1-(5-Chloro-2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CAS 39900-81-7)
- 2-Amino-3-methyl-N-((R)-1-phenylethyl)butanamide (CAS 1404495-62-0)
- Lenvatinib Impurity N4 (CAS 2110414-05-4)
- 3-(Pyridin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-17-0)
- 5-(propan-2-yl)-1,3-thiazole-2-carbaldehyde (CAS 1461714-41-9)
- Neuropeptide S (human) (CAS 412938-67-1)
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