Alrestatin - ≥98% , CAS No.51411-04-2

CAS: 51411-04-2 Cat. No.: A288688 Summenformel: C14H9NO4 Molekulargewicht: 255.23 EG-Nummer: 853-081-7
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GRADE & PURITY ≥98%
Synonyms
KBioGR_000484 | BCP28030 | AKOS000143709 | s5803 | 2-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}acetic acid | Alrestatino | FT-0630645 | GCUCIFQCGJIRNT-UHFFFAOYSA-N | KBio2_007065 | SpecPlus_000666 | Spectrum5_001248 | CAS-5
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
A288688-5mg
—
5 Auf Lager
88,42€
10mg
A288688-10mg
—
5 Auf Lager
132,68€
25mg
A288688-25mg
—
5 Auf Lager
190,82€
50mg
A288688-50mg
—
5 Auf Lager
307,96€
100mg
A288688-100mg
—
4 Auf Lager
498,86€
200mg
A288688-200mg
—
4 Auf Lager
806,91€
500mg
A288688-500mg
—
4 Auf Lager
1.467,26€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
KBioGR_000484 | BCP28030 | AKOS000143709 | s5803 | 2-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}acetic acid | Alrestatino | FT-0630645 | GCUCIFQCGJIRNT-UHFFFAOYSA-N | KBio2_007065 | SpecPlus_000666 | Spectrum5_001248 | CAS-5
Spezifikationen & Reinheit
≥98%
Biochemische und physiologische Mechanismen
Specific inhibitor of aldose reductase (IC50= 148μM). Attenuates glucose-induced angiotensin II production in rat vascular smooth musclein vitro.
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid488179663
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179663
Kanonisches LächelnC1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O
IUPAC Name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
InChIKeyGCUCIFQCGJIRNT-UHFFFAOYSA-N
INCHI1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
Isomere SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O
Molekulargewicht 255.23
Reaxy-Rn 244370
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=244370&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Naphthalenes  Alpha amino acids and derivatives  N-substituted carboxylic acid imides  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - Alpha-amino acid or derivatives - Naphthalene - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
tcpN TCP pilus virulence regulatory protein (25 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot NumberCertificate TypeDatumArtikel
C2321098Certificate of AnalysisJan 19, 2026 A288688
C2321099Certificate of AnalysisJan 19, 2026 A288688
C2321100Certificate of AnalysisJan 19, 2026 A288688
C2321101Certificate of AnalysisJan 19, 2026 A288688
C2321102Certificate of AnalysisJan 19, 2026 A288688
C2321103Certificate of AnalysisJan 19, 2026 A288688
C2321104Certificate of AnalysisJan 19, 2026 A288688
C2321107Certificate of AnalysisJan 19, 2026 A288688
C2321108Certificate of AnalysisJan 19, 2026 A288688
C2321109Certificate of AnalysisJan 19, 2026 A288688
C2321174Certificate of AnalysisJan 05, 2023 A288688
C2321205Certificate of AnalysisJan 05, 2023 A288688
C2321222Certificate of AnalysisJan 05, 2023 A288688
C2321230Certificate of AnalysisJan 05, 2023 A288688

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Chemische und physikalische Eigenschaften
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 25.52, Max Conc. mM: 100
Molekulargewicht255.220 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass255.053 Da
Monoisotopic Mass255.053 Da
Topological Polar Surface Area74.700 Ų
Heavy Atom Count19
Formal Charge0
Complexity403.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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