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Home/Compounds/CAS 1187020-80-9
Formula C31H36FN3O4SMW 565.7Research-use catalog entryCOA/SDS by request

Lumateperone Tosylate

CAS Number: 1187020-80-9

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Loading RDKit molecule structure...
InChIKey: LHAPOGAFBLSJJQ-GUTACTQSSA-NC31H36FN3O4S | MW 565.7

Chemical Absolute Identifiers

CAS Number

1187020-80-9

PubChem CID

44241743

Molecular Formula

C31H36FN3O4S

Molecular Weight

565.7 g/mol

Exact Mass

565.241056

InChIKey

LHAPOGAFBLSJJQ-GUTACTQSSA-N

IUPAC Name

1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic acid

SMILES String

CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12.Cc1ccc(S(=O)(=O)O)cc1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Lumateperone Tosylate (CAS 1187020-80-9) is listed in the Inhibitors and Agonists portfolio, with molecular formula C31H36FN3O4S and molecular weight 565. 70 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for biochemical and pharmacology research 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.

Applications & Classification

Bioactivity ScreeningResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; Alpha-1B adrenergic receptor (Homo sapiens) — 2 assays; D(1A) dopamine receptor (Homo sapiens) — 2 assays; Sodium-dependent serotonin transporter (Homo sapiens) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.27

Experimental evidence source: ChEMBL

Alpha-1B adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.51

Experimental evidence source: ChEMBL

D(1A) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.28

Experimental evidence source: ChEMBL

Sodium-dependent serotonin transporter

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.21

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.14

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Lumateperone Tosylate

Names & Synonyms

ITI-007 tosylateCaplytalumateperone (Tosylate)Lumateperone tosylate [USAN]Lumateperone tosylate (USAN)
Show all synonyms
Caplyta (TN)lumateperone TosylateIlumateperone Tosylate?Lumateperone Tosylate SaltLUMATEPERONE TOSYLATE [WHO-DD]LUMATEPERONE TOSYLATE [ORANGE BOOK]1-(4-Fluoro-phenyl)-4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-butan-1-one tosylate salt1-(4-Fluorophenyl)-4-((6bR,10aR)-3-Methyl-2,3,6B,7,10,10A-Hexahydro-1H-Pyrido[3',4':4,5]Pyrrolo[1,2,3-De]Quinoxalin-8(9H)-Yl)Butan-1-One 4-Methylbenzenesulfonate1-(4-Fluorophenyl)-4-((6bR,10aS)-3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(9H)-yl)butan-1-one 4-methylbenzenesulfonate1-(4-fluorophenyl)-4-[(6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]butan-1-one 4-methylbenzenesulfonate (1:1)1-Butanone, 1-(4-fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-3-methyl-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]-, 4-methylbenzenesulfonate (1:1)4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-1-(4-fluorophenyl)butan-1-one 4-methylbenzenesulfonate
External Identifiers
EC NUMBER: 827-249-5DSSTOX SUBSTANCE ID: DTXSID701026210CHEMBL ID: CHEMBL3233142UNII: JIE88N006OKEGG ID: D11170NCI THESAURUS CODE: C170138
Literature & Patent References
DOI 10.6019/CHEMBL5724796Tm Shift (DSF) assay results for EUbOPEN Chemogenomics LibraryDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/jm401958nDiscovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.PMID 24559051Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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Text Reference Cues

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Non-public related references

TolazamideCAS 1156-19-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 913611-97-9BrexpiprazoleCAS 111974-69-7QuetiapineCAS 132539-06-1OlanzapineCAS 107724-20-9EplerenoneCAS 1174043-16-3Azd-2461CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 1187020-80-9

What are the key identifiers for Lumateperone Tosylate (CAS 1187020-80-9)?

Lumateperone Tosylate is identified by CAS 1187020-80-9, with molecular formula C31H36FN3O4S, molecular weight 565.7, InChIKey LHAPOGAFBLSJJQ-GUTACTQSSA-N.

Does CAS 1187020-80-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, Alpha-1B adrenergic receptor, D(1A) dopamine receptor, Sodium-dependent serotonin transporter, Alpha-1A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1187020-80-9?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Lumateperone Tosylate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1187020-80-9 available for quotation?

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