CAS Number: 84625-61-6
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CAS Number
84625-61-6
PubChem CID
3793
Molecular Formula
C35H38Cl2N8O4
Molecular Weight
705.6 g/mol
Exact Mass
704.239307
InChIKey
VHVPQPYKVGDNFY-UHFFFAOYSA-N
IUPAC Name
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
SMILES String
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Itrizole (CAS 84625-61-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C35H38Cl2N8O4 and molecular weight 705. 60 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: ATP-dependent translocase ABCB1 (Homo sapiens) — 11 assays; Cytochrome P450 3A4 (Homo sapiens) — 10 assays; C-X-C chemokine receptor type 1 (Homo sapiens) — 3 assays; C-C chemokine receptor type 4 (Homo sapiens) — 4 assays; ATP-dependent translocase ABCB1 (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
ATP-dependent translocase ABCB1
Homo sapiens · SINGLE PROTEIN · 11 qualifying assays · 4 documents · best pChEMBL 7.52
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 10 documents · best pChEMBL 7.49
Experimental evidence source: ChEMBL
C-X-C chemokine receptor type 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 7
Experimental evidence source: ChEMBL
C-C chemokine receptor type 4
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 6.7
Experimental evidence source: ChEMBL
ATP-dependent translocase ABCB1
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.7
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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Itrizole is identified by CAS 84625-61-6, with molecular formula C35H38Cl2N8O4, molecular weight 705.6, InChIKey VHVPQPYKVGDNFY-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with ATP-dependent translocase ABCB1, Cytochrome P450 3A4, C-X-C chemokine receptor type 1, C-C chemokine receptor type 4, ATP-dependent translocase ABCB1. 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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