- Package
- 1 mg
- Purity
- 95%
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CAS Number: 690267-56-2
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CAS Number
690267-56-2
PubChem CID
58709413
Molecular Formula
C50H54BF2N9O7S
Molecular Weight
973.9 g/mol
Exact Mass
973.392803
InChIKey
KISAJDBDJSTRDP-LFIBNONCSA-N
IUPAC Name
6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]-N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]hexanamide
SMILES String
[B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)NCCNC(=O)COC4=CC=C(C=C4)C5=NC6=C(N5)C(=O)N(C(=O)N6CCC)CCC)C=C7[N+]1=C(C=C7)C8=CC=CS8)(F)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Fluorescent adenosine receptor antagonist (CAS 690267-56-2) is listed in the Catalysts and Ligands portfolio, with molecular formula C50H54BF2N9O7S and molecular weight 973. 90 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Adenosine receptor A1 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Adenosine receptor A1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.42
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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Fluorescent adenosine receptor antagonist is identified by CAS 690267-56-2, with molecular formula C50H54BF2N9O7S, molecular weight 973.9, InChIKey KISAJDBDJSTRDP-LFIBNONCSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Adenosine receptor A1. 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.
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