9-Methylxanthine - CAS 1198-33-0
Catalog: |
BB004662 |
Product Name: |
9-Methylxanthine |
CAS: |
1198-33-0 |
Synonyms: |
9-methyl-3H-purine-2,6-dione |
IUPAC Name: | 9-methyl-3H-purine-2,6-dione |
Description: | 9-Methylxanthine (CAS# 1198-33-0) is a useful research chemical. |
Molecular Weight: | 166.14 |
Molecular Formula: | C6H6N4O2 |
Canonical SMILES: | CN1C=NC2=C1NC(=O)NC2=O |
InChI: | InChI=1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12) |
InChI Key: | DHNIKYWYTSMDDA-UHFFFAOYSA-N |
Melting Point: | >300 °C |
Purity: | 95 % |
Density: | 1.83 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00042774 |
LogP: | -1.05010 |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
WO-2021119753-A1 | Compounds | 20191218 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127278-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
PMID | Publication Date | Title | Journal |
23042276 | 20121008 | Use of X-ray microprobe to diagnose bone tissue demineralization after caffeine administration | Folia histochemica et cytobiologica |
22673619 | 20120901 | Noncompetitive blocking of human GLUT1 hexose transporter by methylxanthines reveals an exofacial regulatory binding site | American journal of physiology. Cell physiology |
22751681 | 20120814 | Ultrafast nonradiative decay by hypoxanthine and several methylxanthines in aqueous and acetonitrile solution | Physical chemistry chemical physics : PCCP |
22407500 | 20120801 | The effect of adenosine A(2A) receptor antagonists on hydroxyl radical, dopamine, and glutamate in the striatum of rats with altered function of VMAT2 | Neurotoxicity research |
22285442 | 20120701 | A comparison of in vitro relaxant responses to ipratropium bromide, β-adrenoceptor agonists and theophylline in feline bronchial smooth muscle | Veterinary journal (London, England : 1997) |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04907545 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 76 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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Related Functional Groups
Purines
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