Products for Research Use Only

Lurasidone

CAT: 0013-GTR19156834-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156834-06Size:100 mg
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Description
Lurasidone is an antagonist of both dopamine D2 and 5-HT7 (IC50=1.68 and 0.495 nM, respectively) .It also a partial agonist of 5-HT1A receptor (IC50 : 6.75 nM) .In addition to its principal antagonist activity at dopamine D2 and serotonin 5-HT2A receptors, lurasidone has distinctive 5-HT7 antagonistic activity, and displays partial agonism at 5-HT1A receptors, as well as modest antagonism at noradrenergic α2A and α2C receptors. Lurasidone is devoid of antihistaminic and anticholinergic activities.Lurasidone is administered once daily within the range of 40-160 mg/day for schizophrenia and 20-120 mg/day for bipolar depression, and its pharmacokinetic profile requires administration with food. In adult healthy subjects and patients, a 40 mg dose results in peak plasma concentrations in 1-3 h, a mean elimination half-life of 18 h (mostly eliminated in the feces), and apparent volume of distribution of 6173 L; it is approximately 99 % bound to serum plasma proteins. Lurasidone's pharmacokinetics are approximately dose proportional in healthy adults and clinical populations within the approved dosing range, and this was also found in a clinical study of children and adolescents. Lurasidone is principally metabolized by cytochrome P450 (CYP) 3A4 with minor metabolites and should not be coadministered with strong CYP3A4 inducers or inhibitors. Lurasidone does not significantly inhibit or induce CYP450 hepatic enzymes.
CAS Number
367514-87-2
Product Name Alternative
SM-13496
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:17.83 mg/mL (36.19mM; Need ultrasonic)
Smiles
[H][C@@]12[C@H]3CC[C@H] (C3) [C@]1 ([H]) C (=O) N (C[C@@H]1CCCC[C@H]1CN1CCN (CC1) c1nsc3ccccc13) C2=O
Molecular Formula
C28H36N4O2S
Molecular Weight
492.68
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
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...
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