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Home/Compounds/CAS 1300031-52-0
Formula C25H23ClN2O3MW 434.9Research-use catalog entryCOA/SDS by request

4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid

CAS Number: 1300031-52-0

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Loading RDKit molecule structure...
InChIKey: FAWSUKOIROHXAP-NPMXOYFQSA-NC25H23ClN2O3 | MW 434.9

Chemical Absolute Identifiers

CAS Number

1300031-52-0

PubChem CID

52912222

Molecular Formula

C25H23ClN2O3

Molecular Weight

434.9 g/mol

Exact Mass

434.13972

InChIKey

FAWSUKOIROHXAP-NPMXOYFQSA-N

IUPAC Name

4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acid

SMILES String

CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C

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

4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid (CAS 1300031-52-0) is listed in the Advanced Chemicals portfolio, with molecular formula C25H23ClN2O3 and molecular weight 434. 90 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry 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

Heterocyclic Building BlocksSynthetic ChemistryResearch 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: Bromodomain-containing protein 3 (Homo sapiens) — 5 assays; Bromodomain-containing protein 4 (Homo sapiens) — 12 assays; Bromodomain-containing protein 2 (Homo sapiens) — 6 assays; Bromodomain testis-specific protein (Homo sapiens) — 3 assays; Protein polybromo-1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Bromodomain-containing protein 3

Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 1 documents · best pChEMBL 9.6

Experimental evidence source: ChEMBL

Bromodomain-containing protein 4

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 5 documents · best pChEMBL 9.4

Experimental evidence source: ChEMBL

Bromodomain-containing protein 2

Homo sapiens · SINGLE PROTEIN · 6 qualifying assays · 2 documents · best pChEMBL 8.5

Experimental evidence source: ChEMBL

Bromodomain testis-specific protein

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 7.3

Experimental evidence source: ChEMBL

Protein polybromo-1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.2

Experimental evidence source: ChEMBL

Safety & Handling

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 Request

Names & Synonyms / External Identifiers

Chemical Name

4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid

Names & Synonyms

Benzoic acid, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]-GSK1324726A (I-BET726)4-((2S,4R)-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid4-((2S,4R)-1-Acetyl-4-(4-chlorophenylamino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]benzoic acid
Show all synonyms
C25H23ClN2O34bjx4uyf4uyg4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid73B4-{(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzoic acidGSK 1324726As76204-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolyl]benzoic Acid
External Identifiers
CHEMBL ID: CHEMBL2177300WIKIDATA ID: Q27456649
Literature & Patent References
DOI 10.1021/acs.jmedchem.3c01321Small Molecule Ligands of the BET-like Bromodomain, <i>Sm</i>BRD3, Affect <i>Schistosoma mansoni</i> Survival, Oviposition, and Development.DOI 10.6019/EOS300108ECBD screening data for assay EOS300108PMID 38048437Small Molecule Ligands of the BET-like Bromodomain, <i>Sm</i>BRD3, Affect <i>Schistosoma mansoni</i> Survival, Oviposition, and Development.DOI 10.1021/acs.jmedchem.2c00201Designing Soluble PROTACs: Strategies and Preliminary Guidelines.PMID 35469399Designing Soluble PROTACs: Strategies and Preliminary Guidelines.DOI 10.1186/s13148-021-01037-1Synergistic effects of type I PRMT and PARP inhibitors against non-small cell lung cancer cells.PMID 33691794Synergistic effects of type I PRMT and PARP inhibitors against non-small cell lung cancer cells.DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen

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

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Text Reference Cues

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Non-public related references

1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinolineCAS 22190-40-5
2-Oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acidCAS 70639-77-9
Tert-butyl 6-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylateCAS 327044-56-4
1-(7-amino-3,4-dihydroquinolin-1(2H)-yl)ethanoneCAS 545394-33-0

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 1044870-39-42-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-oneCAS 1797406-69-9(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamideCAS 149647-78-9VorinostatCAS 128517-07-7RomidepsinCAS 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 acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 1300031-52-0

What are the key identifiers for 4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid (CAS 1300031-52-0)?

4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid is identified by CAS 1300031-52-0, with molecular formula C25H23ClN2O3, molecular weight 434.9, InChIKey FAWSUKOIROHXAP-NPMXOYFQSA-N.

Does CAS 1300031-52-0 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 2, Bromodomain testis-specific protein, Protein polybromo-1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1300031-52-0?

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

Can I request supplier SDS for 4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid?

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

Is CAS 1300031-52-0 available for quotation?

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