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Lurasidone

CAT: 0013-GTR19173596-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173596-06Size:200 mg
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Description
Lurasidone (SM-13496) is a small molecule acting as a dopamine D2 and 5-HT7 receptor antagonist, with respective IC50 values of 1.68 nM and 0.495 nM, and as a 5-HT1A receptor partial agonist (IC50=6.75 nM) . It is widely used in preclinical research for studying schizophrenia and mood disorders, employing both in vitro binding assays and in vivo behavioral models.
CAS Number
367514-87-2
Product Name Alternative
5-HT Receptor, 5-HT1A, 5HT Receptor, 5HTReceptor, 5-HT7, 5-hydroxytryptamine Receptor, D2, Dopamine, Dopamine Receptor, DopamineReceptor, inhibit, Lurasidone, Inhibitor, SM13496, SM-13496, SM 13496, Serotonin Receptor
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.50% (May vary between batches)
Solubility
DMSO:17.83 mg/mL (36.19 mM) ;10% DMSO+90% Corn Oil:1.5 mg/mL (3.04 mM)
Smiles
O=C1[C@H]2[C@@H]3CC[C@@H] (C3) [C@H]2C (=O) N1C[C@@H]1CCCC[C@H]1CN1CCN (CC1) c1nsc2ccccc12
Molecular Formula
C28H36N4O2S
Molecular Weight
492.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lurasidone

Lurasidone is an N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia. It has a role as an adrenergic antagonist, a serotonergic antagonist, a dopaminergic antagonist and a second generation antipsychotic. It is a dicarboximide, a bridged compound, a N-arylpiperazine and a 1,2-benzisothiazole. It is functionally related to a maleimide. It is a conjugate base of a lurasidone(1+).

CAS Number367514-87-2
PubChem CID213046
IUPAC Name(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular FormulaC28H36N4O2S
Molecular Weight492.7
XLogP5.4
Topological Polar Surface Area85
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity804
SMILES
C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O
InChI
InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
InChIKey
PQXKDMSYBGKCJA-CVTJIBDQSA-N
Chemical Structure
2D Structure
2D structure of Lurasidone
CAS: 367514-87-2
CID: 213046
Formula: C28H36N4O2S
MW: 492.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.7
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass492.25589758
Monoisotopic Mass492.25589758
Topological Polar Surface Area85 Ų
Heavy Atom Count35
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-L474958-1GLurasidone
B1477-50Lurasidone HCl
CS-EK-01001Lurasidone metabolite
CS-O-33217Lurasidone-d8
JXC32545-01Lurasidone sulfoxide
HY-B0032-01Lurasidone (Hydrochloride)
FL24958-01Lurasidone hydrochloride
MBS386184-01Lurasidone (SM13496)
TRC-L474915-25MGLurasidone Sulfone

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