Products for Research Use Only

DSP-1053

CAT: 0013-GTR19206004-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19206004-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DSP-1053 is a potent serotonin transporter (SERT) inhibitor with high affinity (Ki=1.02 nM) and also acts as a partial agonist at the 5-HT1A receptor (Ki=5.05 nM) . This pharmacological profile makes it a useful research tool for investigating serotonin neurotransmission in models of depression, anxiety, and related CNS disorders in both in vitro and in vivo studies.
CAS Number
1176326-76-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
COCCOc1cc (CC2CCN (CCc3ccc4OCCC (=O) c4c3) CC2) ccc1Br
Molecular Formula
C26H32BrNO4
Molecular Weight
502.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
CAS Number1176326-76-3
PubChem CID44182694
IUPAC Name6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one
Molecular FormulaC26H32BrNO4
Molecular Weight502.4
XLogP4.9
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity582
SMILES
COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br
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
Chemical Structure
2D Structure
2D structure of 6-(2-(4-(3-(2-Methoxyethoxy)-4-bromobenzyl)piperidino)ethyl)-2H-1-benzopyran-4(3H)-one
CAS: 1176326-76-3
CID: 44182694
Formula: C26H32BrNO4
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass501.15147
Monoisotopic Mass501.15147
Topological Polar Surface Area48 Ų
Heavy Atom Count32
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes