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- Purity
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CAS Number: 170729-80-3
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CAS Number
170729-80-3
PubChem CID
6918365
Molecular Formula
C23H21F7N4O3
Molecular Weight
534.4 g/mol
Exact Mass
534.150188
InChIKey
ATALOFNDEOCMKK-OITMNORJSA-N
SMILES String
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
40 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: Substance-P receptor (Homo sapiens) — 19 assays; Cytochrome P450 3A4 (Homo sapiens) — 4 assays; G-protein coupled receptor 35 (Homo sapiens) — 2 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 5 assays; Beta-2 adrenergic receptor (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Substance-P receptor
Homo sapiens · SINGLE PROTEIN · 19 qualifying assays · 15 documents · best pChEMBL 10.1
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 7.7
Experimental evidence source: ChEMBL
G-protein coupled receptor 35
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.21
Experimental evidence source: ChEMBL
Alpha-2A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Beta-2 adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
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.
5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one is identified by CAS 170729-80-3, with molecular formula C23H21F7N4O3, molecular weight 534.4, InChIKey ATALOFNDEOCMKK-OITMNORJSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Substance-P receptor, Cytochrome P450 3A4, G-protein coupled receptor 35, Alpha-2A adrenergic receptor, Beta-2 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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