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CAS Number: 95058-81-4
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CAS Number
95058-81-4
PubChem CID
60750
Molecular Formula
C9H11F2N3O4
Molecular Weight
263.2 g/mol
Exact Mass
263.071762
InChIKey
SDUQYLNIPVEERB-QPPQHZFASA-N
IUPAC Name
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILES String
C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
Appearance
Crystals from water, pH = 8.5
Melting Point
168.6 °C
pKa
3.6
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Gemcitabine (CAS 95058-81-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C9H11F2N3O4 and molecular weight 263. 20 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis 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: Equilibrative nucleoside transporter 1 (Homo sapiens) — 2 assays; Cytidine deaminase (Homo sapiens) — 6 assays; Deoxycytidine kinase (Homo sapiens) — 4 assays; 5-hydroxytryptamine receptor 1A (Homo sapiens) — 3 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Equilibrative nucleoside transporter 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.72
Experimental evidence source: ChEMBL
Cytidine deaminase
Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Deoxycytidine kinase
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 1A
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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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.
Gemcitabine is identified by CAS 95058-81-4, with molecular formula C9H11F2N3O4, molecular weight 263.2, InChIKey SDUQYLNIPVEERB-QPPQHZFASA-N.
ChEMBL contains qualifying experimental assay evidence associated with Equilibrative nucleoside transporter 1, Cytidine deaminase, Deoxycytidine kinase, 5-hydroxytryptamine receptor 1A, Alpha-1A adrenergic receptor. 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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