2,4-Dihydroxypyrimidine-5-carboxylic acid - CAS 23945-44-0
Catalog: |
BB018256 |
Product Name: |
2,4-Dihydroxypyrimidine-5-carboxylic acid |
CAS: |
23945-44-0 |
Synonyms: |
2,4-dioxo-1H-pyrimidine-5-carboxylic acid |
IUPAC Name: | 2,4-dioxo-1H-pyrimidine-5-carboxylic acid |
Description: | 2,4-Dihydroxypyrimidine-5-carboxylic acid (CAS# 23945-44-0) is used in the preparation of 1-Aromatic aldoxime uracil as thymidine phosphorylase inhibitor which is useful in treatment of cancer. |
Molecular Weight: | 156.10 |
Molecular Formula: | C5H4N2O4 |
Canonical SMILES: | C1=C(C(=O)NC(=O)N1)C(=O)O |
InChI: | InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) |
InChI Key: | ZXYAAVBXHKCJJB-UHFFFAOYSA-N |
Boiling Point: | 564.9 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.642 g/cm3 |
MDL: | MFCD00006023 |
LogP: | -1.23860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112707509-A | Method for removing heavy metals in water body by using marine microalgae | 20201110 |
CN-112159392-A | Substituted pyrimidine compound, pharmaceutical composition thereof and application of compound | 20200915 |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
NL-2027383-A | Methods, compositions, and vaccines for treating a virus infection | 20200124 |
WO-2021151099-A1 | Therapeutic double stranded rna and methods for producing the same | 20200124 |
PMID | Publication Date | Title | Journal |
22580424 | 20120701 | Large-scale profiling of diterpenoid glycosides from Stevia rebaudiana using ultrahigh performance liquid chromatography/tandem mass spectrometry | Analytical and bioanalytical chemistry |
23029336 | 20120101 | Validation of drug-like inhibitors against Mycobacterium tuberculosis L-aspartate α-decarboxylase using nuclear magnetic resonance (1H NMR) | PloS one |
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 |
21798525 | 20110927 | Structures of the novel α-glucosyl linked diterpene glycosides from Stevia rebaudiana | Carbohydrate research |
22096997 | 20110701 | [Synthesis and antituberculosis activity of the derivatives of glycoside steviolbioside from the plant Stevia rebaudiana and diterpenoid isosteviol containing hydrazone, hydrazide and pyridinoyl moieties] | Bioorganicheskaia khimiia |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.01710661 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 95.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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