3 Citations
Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 2,6-Dihydroxy-7-methylpurine | 7-methyl xanthine | CHEBI:48991 | MFCD00037979 | PDSP2_001024 | 7-Methylxanthine | 7-Methyl-2,6-dioxypurin | BDBM82522 | Heteroxanthin | 7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | FT-0672370 | 1H-Purine-2, 3,7-dihydro |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
General description： 7-Methylxanthine is an oxopurine, which belongs to the class of xanthines. It may be synthesized by the reaction between 4-amino-1-methylimidazole-5-carboxamide and diethyl carbonate. description： 7-Methylxanthine can be used as a building block to synthesize tricyclic imidazo[2,1-i]purinone derivatives as potential adenosine receptor antagonists |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
- Subclass Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | Alkaloids and derivatives Hydroxypyrimidines N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthine - Alkaloid or derivatives - Hydroxypyrimidine - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | a small molecule |
|
|
|
Associated Targets(Human)
ADORA1
Tclin
Adenosine A1 receptor (17603 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GDA
Tbio
Guanine deaminase (19 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Adora2b
Adenosine A2 receptor (1828 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SARS-CoV-2 (38078 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504754284 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754284 |
| IUPAC Name | 7-methyl-3H-purine-2,6-dione |
| INCHI | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Smiles | CN1C=NC2=C1C(=O)NC(=O)N2 |
| Isomeric SMILES | CN1C=NC2=C1C(=O)NC(=O)N2 |
| WGK Germany | 3 |
| Molecular Weight | 166.14 |
| Beilstein | 171027 |
| Reaxy-Rn | 171027 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171027&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2425054 |
Certificate of Analysis | Jul 18, 2022 | M111858 |
| H2229672 |
Certificate of Analysis | Jul 18, 2022 | M111858 |
| H2229718 |
Certificate of Analysis | Jul 18, 2022 | M111858 |
| H2229717 |
Certificate of Analysis | Jul 18, 2022 | M111858 |
| H2229420 |
Certificate of Analysis | Jul 18, 2022 | M111858 |
Chemical and Physical Properties
| Solubility | Soluble in dimethyl sulfoxide. Insoluble in water. |
|---|---|
| Melt Point(°C) | ≥300℃ |
| Molecular Weight | 166.140 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 166.049 Da |
| Monoisotopic Mass | 166.049 Da |
| Topological Polar Surface Area | 76.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Fan Yuzhuo, Li Jiarui, Huang Lvzhen, Wang Kai, Zhao Mingwei. (2022) 7-Methylxanthine Influences the Behavior of ADORA2A-DRD2 Heterodimers in Human Retinal Pigment Epithelial Cells. OPHTHALMIC RESEARCH, 65 (6): (678-684). |
| 2. Dekai Zheng, Changhao Cheng, Yanhua Tang, Zhixin Fang, Xuelian Gao, Yuchuan Chen, Qiuhong You, Kaifeng Wang, Heqi Zhou, Zhixian Lan, Jian Sun. (2024) Circulating metabolites are associated with persistent elevations of ALT in patients with chronic hepatitis B with complete viral suppression. JOURNAL OF MEDICAL VIROLOGY, 96 (6): (e29723). |
| 3. Chang Liu, Yinuo Wu, Huizhe Zhao, Xiangyu Gu, Jinyang Gu, Mengmeng Zhao, Shangci Zuo, Pengchao Wang. (2024) Highly Efficient Whole-Cell Biocatalysis for the Biosynthesis of 7-Methylxanthine and Other Xanthine Derivatives. ACS Sustainable Chemistry & Engineering, 12 (26): (9716-9726). |
Solution Calculators
Reviews
Customer Reviews
Remind me later