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DSP-1053 - 99%, high purity , CAS No.1176326-76-3
Basic Description
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
DSP-1053, a benzylpiperidine derivative, is a potentxa0Serotonin Transporter (SERT) inhibitor with a K i of 1.02 nM. DSP-1053 shows partialxa05-HT 1A receptor agonistic activity with a K i of 5.05 nM. DSP-1053 has antidepressant activity.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
DSP-1053, a benzylpiperidine derivative, is a potent Serotonin Transporter (SERT) inhibitor with a K i of 1.02 nM. DSP-1053 shows partial 5-HT 1A receptor agonistic activity with a K i of 5.05 nM. DSP-1053 has antidepressant activity
Form:Solid
IC50& Target:5-HT 1A Receptor 5.05 nM (Ki)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
4-benzylpiperidines
Alternative Parents
Chromones Phenethylamines Phenoxy compounds Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-benzylpiperidine - Chromone - Chromane - Benzopyran - 1-benzopyran - Phenethylamine - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Tertiary aliphatic amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
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
6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
INCHI
InChI=1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3
InChIKey
ZSVLGHSNQJYODD-UHFFFAOYSA-N
Smiles
COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br
Isomeric SMILES
COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br
PubChem CID
44182694
Molecular Weight
502.44
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO : 100 mg/mL (199.03 mM; Need ultrasonic)
Molecular Weight
502.400 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
9
Exact Mass
501.151 Da
Monoisotopic Mass
501.151 Da
Topological Polar Surface Area
48.000 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
582.000
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
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