5-Iodouracil - CAS 696-07-1
Catalog: |
BB033891 |
Product Name: |
5-Iodouracil |
CAS: |
696-07-1 |
Synonyms: |
5-iodo-1H-pyrimidine-2,4-dione |
IUPAC Name: | 5-iodo-1H-pyrimidine-2,4-dione |
Description: | 5-Iodouracil (CAS# 696-07-1) is a halogenated pyrimidine that can be used in nucleoprotein photo-crosslinking via RNA substitution. 5-Iodouracil is used in thymidine phosphorylase targeted imaging and therapy. Studies show that DNA N-glycosylase MED1 exhibited higher preference for 5-Iodouracil and halogenated bases over non-halogenated ones. |
Molecular Weight: | 237.98 |
Molecular Formula: | C4H3IN2O2 |
Canonical SMILES: | C1=C(C(=O)NC(=O)N1)I |
InChI: | InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) |
InChI Key: | KSNXJLQDQOIRIP-UHFFFAOYSA-N |
Boiling Point: | 401 °C |
Density: | 2.39 g/cm3 |
MDL: | MFCD00006020 |
LogP: | 0.49240 |
GHS Hazard Statement: | H302 (91.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112618699-A | Reagent capable of providing interleukin 10 with effective treatment amount and antitumor application thereof | 20201231 |
CN-111909100-A | Method for efficiently preparing uracil and thymine derivatives | 20200812 |
CN-111876432-A | Acquisition and application of novel liver-targeted adeno-associated viruses | 20200729 |
US-10907163-B1 | Aptamers that bind to natural and synthetic cannabinoids | 20200615 |
US-11103576-B1 | Measles virus vaccine expressing SARS-COV-2 protein(s) | 20200615 |
PMID | Publication Date | Title | Journal |
22821195 | 20120901 | Protonation preferentially stabilizes minor tautomers of the halouracils: IRMPD action spectroscopy and theoretical studies | Journal of the American Society for Mass Spectrometry |
21958870 | 20111215 | C(5) modified uracil derivatives showing antiproliferative and erythroid differentiation inducing activities on human chronic myelogenous leukemia K562 cells | European journal of pharmacology |
21955150 | 20111201 | Chimeric aptamers in cancer cell-targeted drug delivery | Critical reviews in biochemistry and molecular biology |
20674370 | 20100901 | Synthesis and properties of triplex-forming oligonucleotides containing 2'-O-(2-methoxyethyl)-5-(3-aminoprop-1-ynyl)-uridine | Bioorganic & medicinal chemistry |
19788334 | 20091103 | Herpes simplex virus-1 helicase-primase: roles of each subunit in DNA binding and phosphodiester bond formation | Biochemistry |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.92392 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.92392 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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