NQDI 1 - ≥97% , CAS No.175026-96-7

CAS: 175026-96-7 Cat. No.: N288303 Molecular Weight: 319.31
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2,7-Dihydro-2,7-dioxo-3H-naphtho[1,2,3-de]quinoline-1-carboxylic acid ethyl ester | ethyl 2,7-dioxo-3,7-dihydro-2H-naphtho[1,2,3-de]quinoline-1-carboxylate | NQDI-1
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
N288303-5mg
3
$69.90
10mg
N288303-10mg
3
$100.90
25mg
N288303-25mg
2
$200.90
50mg
N288303-50mg
2
$320.90
100mg
N288303-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$512.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% 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.

Overview

Product Application:

NQDI-1 was used to study LPS-induced activation and role of ASK1 and p38 in anti-inflammatory cytokine production by macrophages.

Specifications

Synonyms
2, 7-Dihydro-2, 7-dioxo-3H-naphtho[1, 2, 3-de]quinoline-1-carboxylic acid ethyl ester | ethyl 2, 7-dioxo-3, 7-dihydro-2H-naphtho[1, 2, 3-de]quinoline-1-carboxylate | NQDI-1
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
Selective inhibitor of apoptosis signal-regulating kinase 1 (ASK1, MAP3K5) (IC50= 3μM, Ki= 500 nM).NQDI-1 is an inhibitor of apoptosis signal-regulating kinase (ASK1), Ki = 500 nM. NQDI-1 shows little or no inhibitory activity against Aurora A or ROCK kin
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504763903
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504763903
Canonical SmilesCCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O
IUPAC Nameethyl 8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate
InChIKeyUFJGFNHRMPMALC-UHFFFAOYSA-N
INCHI1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)
Isomeric SMILES CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O
Molecular Weight 319.31
Reaxy-Rn 8932766
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8932766&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
SuperclassBenzenoids
ClassAnthracenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAnthracenes
Alternative Parents Isoquinolones and derivatives  Hydroquinolones  Hydroquinolines  Pyridinecarboxylic acids  Aryl ketones  Pyridinones  Vinylogous amides  Heteroaromatic compounds  Lactams  Carboxylic acid esters  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Anthracene - Dihydroquinolone - Isoquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl ketone - Pyridinone - Pyridine - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MET Tclin Hepatocyte growth factor receptor (10718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TEK Tclin Tyrosine-protein kinase TIE-2 (3348 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLH Tchem DNA polymerase eta (21678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

5 results found

Lot NumberCertificate TypeDateItem
E2212032Certificate of AnalysisFeb 07, 2025 N288303
E2212041Certificate of AnalysisFeb 07, 2025 N288303
E2212042Certificate of AnalysisFeb 07, 2025 N288303
E2212047Certificate of AnalysisFeb 07, 2025 N288303
E2212056Certificate of AnalysisFeb 07, 2025 N288303
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 3.19, Max Conc. mM: 10
Melt Point(°C)>270°C
Molecular Weight319.300 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass319.084 Da
Monoisotopic Mass319.084 Da
Topological Polar Surface Area72.500 Ų
Heavy Atom Count24
Formal Charge0
Complexity623.000
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
Solution Calculators
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