6-Iodopurine - CAS 2545-26-8
Catalog: |
BB018913 |
Product Name: |
6-Iodopurine |
CAS: |
2545-26-8 |
Synonyms: |
9H-Purine, 6-iodo-; 1H-Purine, 6-iodo-; 6-Iodo-9H-purine; Purine, 6-iodo-; NSC 25803 |
IUPAC Name: | 6-iodo-7H-purine |
Molecular Weight: | 246.01 |
Molecular Formula: | C5H3IN4 |
Canonical SMILES: | C1=NC2=C(N1)C(=NC=N2)I |
InChI: | InChI=1S/C5H3IN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) |
InChI Key: | NIBFSSALYRLHPY-UHFFFAOYSA-N |
Boiling Point: | 260.4±50.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 2.66±0.1 g/cm3 |
Appearance: | Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00022649 |
LogP: | 0.95750 |
Publication Number | Title | Priority Date |
JP-2021070665-A | Cyclopentene derivative and method for producing cyclopentene derivative | 20191101 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 20180810 |
PMID | Publication Date | Title | Journal |
15527280 | 20041112 | A facile and efficient synthesis of (Purin-6-yl)alanines | The Journal of organic chemistry |
14601982 | 20031113 | 6-Magnesiated purines: preparation and reaction with aldehydes | Organic letters |
11514175 | 20010820 | Synthesis of 6-(2-thienyl)purine nucleoside derivatives that form unnatural base pairs with pyridin-2-one nucleosides | Bioorganic & medicinal chemistry letters |
7503772 | 19951109 | Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii | Biochemical pharmacology |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.94024 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.94024 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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