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Home/Compounds/CAS 110703-94-1
Formula C19H12F3N3O3SMW 419.4Research-use catalog entryCOA/SDS by request

Zopolrestat

CAS Number: 110703-94-1

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Loading RDKit molecule structure...
InChIKey: BCSVCWVQNOXFGL-UHFFFAOYSA-NC19H12F3N3O3S | MW 419.4

Chemical Absolute Identifiers

CAS Number

110703-94-1

PubChem CID

1613

Molecular Formula

C19H12F3N3O3S

Molecular Weight

419.4 g/mol

Exact Mass

419.055147

InChIKey

BCSVCWVQNOXFGL-UHFFFAOYSA-N

IUPAC Name

2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid

SMILES String

O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12

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

Zopolrestat (CAS 110703-94-1) is listed in the Advanced Chemicals portfolio, with molecular formula C19H12F3N3O3S and molecular weight 419. 40 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: Aldo-keto reductase family 1 member B1 (Homo sapiens) — 21 assays; Aldo-keto reductase family 1 member B1 (Rattus norvegicus) — 4 assays; Aldo-keto reductase family 1 member B10 (Homo sapiens) — 3 assays; Aldo-keto reductase family 1 member A1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Aldo-keto reductase family 1 member B1

Homo sapiens · SINGLE PROTEIN · 21 qualifying assays · 17 documents · best pChEMBL 9

Experimental evidence source: ChEMBL

Aldo-keto reductase family 1 member B1

Rattus norvegicus · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 8.3

Experimental evidence source: ChEMBL

Aldo-keto reductase family 1 member B10

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.21

Experimental evidence source: ChEMBL

Aldo-keto reductase family 1 member A1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.57

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

Zopolrestat

Names & Synonyms

AlondCP 73850ZopolrestatumCP-73,8503,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-1-phthalazineacetic acid
Show all synonyms
3,4-Dihydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-1-phthalazineacetic acid2-(4-oxo-3-((5-(trifluoromethyl)-1,3-benzothiazol-2-yl)methyl)phthalazin-1-yl)acetic acid3,4-dihydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-1-phthalazine-acetic acidZopolrestatum [INN-Latin]Xedia2-(4-oxo-3-((5-(trifluoromethyl)benzo[d]thiazol-2-yl)methyl)-3,4-dihydrophthalazin-1-yl)acetic acid1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-3-[[5-(trifluoromethyl)-2-benzothiazolyl]methyl]-ZSTZopolrestat [USAN:INN:BAN]4kyh
External Identifiers
EC NUMBER: 682-922-9DSSTOX SUBSTANCE ID: DTXSID80149365CHEMBL ID: CHEMBL10372UNII: 1PV3S9WP3DDRUGBANK ID: DB08772HMDB ID: HMDB0260044KEGG ID: C01865KEGG ID: D02328METABOLOMICS WORKBENCH ID: 67416NCI THESAURUS CODE: C82174WIKIDATA ID: Q27089300
Experimental Spectrum References
13C NMR SpectraATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral ResearchRaman Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c01116In Search for Inhibitors of Human Aldo-Keto Reductase 1B10 (AKR1B10) as Novel Agents to Fight Cancer and Chemoresistance: Current State-of-the-Art and Prospects.DOI 10.1021/acs.jmedchem.4c02615Development of Novel Phthalazinone-Triazole Hybrids as Potential Antidiabetic Agents Targeting GLUT4 Translocation in Skeletal Muscle.PMID 39757466In Search for Inhibitors of Human Aldo-Keto Reductase 1B10 (AKR1B10) as Novel Agents to Fight Cancer and Chemoresistance: Current State-of-the-Art and Prospects.PMID 40383919Development of Novel Phthalazinone-Triazole Hybrids as Potential Antidiabetic Agents Targeting GLUT4 Translocation in Skeletal Muscle.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.1016/j.bmc.2019.115243Recent advances in the discovery and development of glyoxalase I inhibitors.DOI 10.1016/j.bmcl.2019.126815Early identification of promiscuous attributes of aldose reductase inhibitors using a DMSO-perturbation assay.DOI 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 collection

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

PonalrestatCAS 72702-95-5
(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acidCAS 28081-53-0
(3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acidCAS 329714-50-3
2-(3-(2-Methoxyethyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acidCAS 1263216-13-2
(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acidCAS 114897-85-7

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 72702-95-5PonalrestatCAS 28081-53-0(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acidCAS 329714-50-3(3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acidCAS 1263216-13-22-(3-(2-Methoxyethyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acidCAS 4373-41-5Maslinic AcidCAS 464-92-6Asiatic AcidCAS 520-36-5ApigeninCAS 169590-42-5CelecoxibCAS 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 acid

RFQ questions for CAS 110703-94-1

What are the key identifiers for Zopolrestat (CAS 110703-94-1)?

Zopolrestat is identified by CAS 110703-94-1, with molecular formula C19H12F3N3O3S, molecular weight 419.4, InChIKey BCSVCWVQNOXFGL-UHFFFAOYSA-N.

Does CAS 110703-94-1 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Aldo-keto reductase family 1 member B1, Aldo-keto reductase family 1 member B1, Aldo-keto reductase family 1 member B10, Aldo-keto reductase family 1 member A1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 110703-94-1?

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

Can I request supplier SDS for Zopolrestat?

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Is CAS 110703-94-1 available for quotation?

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