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7-Aminoquinoline-5,8-dione , CAS No.64636-91-5

COA COA
In stock
Item Number
A668196
Grouped product items
SKU Size
Availability
 Price Qty
A668196-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
A668196-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Synonyms 7-aminoquinoline-5,8-dione | NSC76885 | MLS004082612 | 7-amino-5,8-quinoline-quinone | DTXSID80291631 | BDBM50447761 | NSC-76885 | SMR002852922 | SR-02000001197 | SR-02000001197-1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Quinolines and derivatives
Subclass Quinoline quinones
Intermediate Tree Nodes Not available
Direct Parent Quinoline quinones
Alternative Parents Hydroquinolines  Aryl ketones  Pyridines and derivatives  Vinylogous amides  Heteroaromatic compounds  Enamines  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Quinoline quinone - Dihydroquinoline - Aryl ketone - Pyridine - Heteroaromatic compound - Vinylogous amide - Ketone - Enamine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors Not available

Product Properties

ALogP 0.2

Associated Targets(Human)

PADI1 Tchem Protein-arginine deiminase type-1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PADI4 Tchem Protein-arginine deiminase type-4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PADI2 Tchem Protein-arginine deiminase type-2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PADI3 Tchem Protein-arginine deiminase type-3 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CCRF-CEM (65223 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CEM-SS (2428 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MT4 (17854 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PADI4 Tchem Protein-arginine deiminase type-4 (309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PADI1 Tchem Protein-arginine deiminase type-1 (130 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PADI2 Tchem Protein-arginine deiminase type-2 (138 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PADI3 Tchem Protein-arginine deiminase type-3 (118 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTH Tchem Cystathionine gamma-lyase (128 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Salmonella enterica subsp. enterica serovar Gallinarum (105 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mycolicibacterium smegmatis (8003 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
B16 (5829 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L1210 (27553 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P388 (20296 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NIH3T3 (5395 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 7-aminoquinoline-5,8-dione
INCHI InChI=1S/C9H6N2O2/c10-6-4-7(12)5-2-1-3-11-8(5)9(6)13/h1-4H,10H2
InChIKey QHJBNEFEIDZZCN-UHFFFAOYSA-N
Smiles C1=CC2=C(C(=O)C(=CC2=O)N)N=C1
Isomeric SMILES C1=CC2=C(C(=O)C(=CC2=O)N)N=C1
Molecular Weight 174.16
Reaxy-Rn 389327
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389327&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 174.160 g/mol
XLogP3 0.200
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 174.043 Da
Monoisotopic Mass 174.043 Da
Topological Polar Surface Area 73.100 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 296.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

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