10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one

Base Information

Chemical Name:10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one
CAS No.:122955-42-4
Molecular Formula:C₂₆H₂₀N₂O
Molecular Weight:376.458
Hs Code.:
European Community (EC) Number:687-389-6
Nikkaji Number:J960.507J
Wikidata:Q27089244
Pharos Ligand ID:U66TNV2PUXHC
Metabolomics Workbench ID:70000
ChEMBL ID:CHEMBL342375
Mol file:122955-42-4.mol

Synonyms:10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone;XE 991, anthracenone;XE-991;XE991 cpd

Suppliers and Price of 10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
XE 991 dihydrochloride
10mg
$ 446.00

TRC
XE991
5mg
$ 220.00

Tocris
XE991dihydrochloride ≥99%(HPLC)
50
$ 780.00

Tocris
XE991dihydrochloride ≥99%(HPLC)
10
$ 187.00

Sigma-Aldrich
XE-991 ≥98% (HPLC)
10mg
$ 146.00

Sigma-Aldrich
XE-991 ≥98% (HPLC)
50mg
$ 618.00

American Custom Chemicals Corporation
XE-991 95.00%
50MG
$ 1199.42

American Custom Chemicals Corporation
XE-991 95.00%
10MG
$ 238.35

Total 11 raw suppliers

Chemical Property of 10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one

Chemical Property:

Vapor Pressure:6.84E-16mmHg at 25°C
Boiling Point:625.3°Cat760mmHg
Flash Point:332°C
PSA：42.85000
Density:g/cm³
LogP:4.79250
Storage Temp.:Desiccate at RT
Solubility.:DMSO: >20mg/mL
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:376.157563266
Heavy Atom Count:29
Complexity:515

Purity/Quality:

98%,99%, ^*data from raw suppliers

XE 991 dihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5
General Description **10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE (DR 960418; XE 991)** is a structural analogue of linopirdine, designed to enhance acetylcholine release in the brain. It belongs to a class of polycyclic compounds with α,α-disubstituted pendant groups, where the 4-pyridinylmethyl moieties contribute to its pharmacological activity. Like linopirdine, it likely modulates neurotransmitter release through interactions with potassium channels, though its specific efficacy and duration of action may vary due to differences in core structure and hydrogen-bonding properties. 10,10-BIS(4-PYRIDINYLMETHYL)-9(10H)-ANTHRACENONE DIHYDROCHLORIDE represents a potential cognitive enhancer, though further studies would be needed to confirm its clinical applicability.

Technology Process of 10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one

There total 2 articles about 10,10-Bis(pyridin-4-ylmethyl)anthracen-9-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 62.0%

: 10445-91-7
4-(Chloromethyl)pyridine

: 90-44-8
anthracen-9(10H)-one

: 122955-42-4
10,10-bis(4-pyridinylmethyl)-9(10H)-anthracenone

Guidance literature:: With potassium hydroxide; tetra-(n-butyl)ammonium iodide; In water; benzene; 1.) RT, 2 h, 2.) reflux;
DOI:10.1016/0223-5234(96)80369-2