6-Chloro-7-iodo-7-deazapurine - CAS 123148-78-7
Catalog: |
BB005632 |
Product Name: |
6-Chloro-7-iodo-7-deazapurine |
CAS: |
123148-78-7 |
Synonyms: |
4-Chloro-5-iodopyrrolo[2,3-d]pyrimidine; 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine; 7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo- |
IUPAC Name: | 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine |
Description: | 4-Chloro-5-iodopyrrolo[2,3-d]pyrimidine can be used to synthesize compounds that can act as analogs of Axl kinase inhibitors. Furthermore, it can be used to prepare nucleoside prodrugs for treating viral infections. |
Molecular Weight: | 279.47 |
Molecular Formula: | C6H3ClIN3 |
Canonical SMILES: | C1=C(C2=C(N1)N=CN=C2Cl)I |
InChI: | InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11) |
InChI Key: | CBWBJFJMNBPWAL-UHFFFAOYSA-N |
Boiling Point: | 241.0±50.0°C (Predicted) |
Melting Point: | 179-183°C |
Purity: | 97.0 % |
Density: | 2.47±0.1 g/cm3 (Predicted) |
Solubility: | Insoluble in Water |
Storage: | Store at RT |
MDL: | MFCD09263258 |
LogP: | 2.21590 |
GHS Hazard Statement: | H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851719-A | Method for synthesizing giardiamycin | 20210310 |
WO-2021185348-A1 | Substituted acrylamide derivative and composition and use thereof | 20200320 |
US-2021299128-A1 | Compounds for treating or inhibiting recurrence of acute myeloid leukemia | 20200316 |
WO-2021184154-A1 | Compounds for treating or inhibiting recurrence of acute myeloid leukemia | 20200316 |
WO-2021188417-A1 | Compounds for treating or inhibiting recurrence of acute myeloid leukemia | 20200316 |
PMID | Publication Date | Title | Journal |
22877872 | 20120901 | Sugar-modified derivatives of cytostatic 7-(het)aryl-7-deazaadenosines: 2'-C-methylribonucleosides, 2'-deoxy-2'-fluoroarabinonucleosides, arabinonucleosides and 2'-deoxyribonucleosides | Bioorganic & medicinal chemistry |
19385614 | 20090528 | Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes | Journal of medicinal chemistry |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.90602 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.90602 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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