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1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- , CAS No.49803-30-7

COA COA
In stock
Item Number
I668147
Grouped product items
SKU Size
Availability
 Price Qty
I668147-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
I668147-5mg
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 1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)- | MLS000105604 | SMR000102582 | BRN 1534418 | REGID_for_CID_5152 | 2-(1-ethylpyridin-4-ylidene)indene-1,3-dione | 2-(1-Ethyl-4(1H)-pyridinylidene)-1,3-indandione | 2-(1-Ethyl-4(1H)-pyridinylidene)-1H-inden

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Indanes
Subclass Indanones
Intermediate Tree Nodes Not available
Direct Parent Indanediones
Alternative Parents Aryl ketones  Dihydropyridines  Trialkylamines  Enamines  Azacyclic compounds  Allylamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Indanedione - Aryl ketone - Dihydropyridine - Hydropyridine - Ketone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Enamine - Azacycle - Allylamine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
External Descriptors Not available

Product Properties

ALogP 2.6

Associated Targets(Human)

KLF5 Tchem Krueppel-like factor 5 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GLA Tclin Alpha-galactosidase A (5444 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-1080 (3966 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KLF5 Tchem Kruppel-like factor 5 (178 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
microRNA 21 (64692 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XBP1 Tchem X-box-binding protein 1 (1001 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferase (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PYK Pyruvate kinase (6726 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Phosphoglycerate kinase, glycosomal (2184 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
vpr Aberrant vpr protein (14595 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 2-(1-ethylpyridin-4-ylidene)indene-1,3-dione
INCHI InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3
InChIKey XHNFURAQPBTAFS-UHFFFAOYSA-N
Smiles CCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1
Isomeric SMILES CCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1
Molecular Weight 251.28
Reaxy-Rn 1534418
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1534418&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 251.280 g/mol
XLogP3 2.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 251.095 Da
Monoisotopic Mass 251.095 Da
Topological Polar Surface Area 37.400 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 471.000
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

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