- Package
- 1 g
- Purity
- 98%
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CAS Number: 611-59-6
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CAS Number
611-59-6
PubChem CID
4687
Molecular Formula
C7H8N4O2
Molecular Weight
180.16 g/mol
Exact Mass
180.064726
InChIKey
QUNWUDVFRNGTCO-UHFFFAOYSA-N
IUPAC Name
1,7-dimethyl-3H-purine-2,6-dione
SMILES String
CN1C=NC2=C1C(=O)N(C(=O)N2)C
Melting Point
351–352 °C
Water Solubility
27 mol/L
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Paraxanthine (CAS 611-59-6) is listed in the Advanced Chemicals portfolio, with molecular formula C7H8N4O2 and molecular weight 180. 16 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: RecQ-like DNA helicase BLM (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Thyrotropin receptor (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
RecQ-like DNA helicase BLM
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.2
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.4
Experimental evidence source: ChEMBL
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.4
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Paraxanthine is identified by CAS 611-59-6, with molecular formula C7H8N4O2, molecular weight 180.16, InChIKey QUNWUDVFRNGTCO-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with RecQ-like DNA helicase BLM, Cytochrome P450 3A4, Thyrotropin receptor, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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