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- Purity
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CAS Number: 1257044-40-8
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CAS Number
1257044-40-8
PubChem CID
49846579
Molecular Formula
C45H50ClN7O7S
Molecular Weight
868.4 g/mol
Exact Mass
867.318096
InChIKey
LQBVNQSMGBZMKD-UHFFFAOYSA-N
IUPAC Name
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
SMILES String
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Venetoclax (CAS 1257044-40-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C45H50ClN7O7S and molecular weight 868. 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: Apoptosis regulator Bcl-2 (Homo sapiens) — 46 assays; Bcl-2-like protein 1 (Homo sapiens) — 20 assays; Bcl2-associated agonist of cell death (Homo sapiens) — 3 assays; Bcl-2-like protein 2 (Homo sapiens) — 5 assays; Aspartyl/asparaginyl beta-hydroxylase (Homo sapiens) — 5 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Apoptosis regulator Bcl-2
Homo sapiens · SINGLE PROTEIN · 46 qualifying assays · 35 documents · best pChEMBL 10.74
Experimental evidence source: ChEMBL
Bcl-2-like protein 1
Homo sapiens · SINGLE PROTEIN · 20 qualifying assays · 19 documents · best pChEMBL 9
Experimental evidence source: ChEMBL
Bcl2-associated agonist of cell death
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 7.26
Experimental evidence source: ChEMBL
Bcl-2-like protein 2
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 5 documents · best pChEMBL 6.61
Experimental evidence source: ChEMBL
Aspartyl/asparaginyl beta-hydroxylase
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 1 documents · best pChEMBL 5.89
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.
Venetoclax is identified by CAS 1257044-40-8, with molecular formula C45H50ClN7O7S, molecular weight 868.4, InChIKey LQBVNQSMGBZMKD-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Apoptosis regulator Bcl-2, Bcl-2-like protein 1, Bcl2-associated agonist of cell death, Bcl-2-like protein 2, Aspartyl/asparaginyl beta-hydroxylase. 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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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