Lurasidone

CAT: 0931-T21337-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T21337-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

367514-87-2

Target

5-HT Receptor, Dopamine Receptor

Related Pathways

GPCR/G Protein, Neuroscience

Purity

0.9991

Bioactivity

Lurasidone (SM-13496) is an antagonist of dopamine D2 and 5-HT7 receptors (IC50 = 1.68 and 0.495 nM, respectively) and a partial agonist of the 5-HT1A receptor (IC50 = 6.75 nM) .

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	367514-87-2
PubChem CID	213046
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 Formula	C28H36N4O2S
Molecular Weight	492.7
XLogP	5.4
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	804

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

CAS: 367514-87-2

CID: 213046

Formula: C28H36N4O2S

MW: 492.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.7
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	492.25589758
Monoisotopic Mass	492.25589758
Topological Polar Surface Area	85 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	804
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
OR1028250-01	Lurasidone
281302-01	Lurasidone hydrochloride
MBS386184-01	Lurasidone (SM13496)
TRC-L474915-25MG	Lurasidone Sulfone
RM-L181949-01	Lurasidone HCl
AR-L02099-01	Lurasidone-d8
AR-I08086-01	Lurasidone Sulfoxide

Lurasidone

Chemical Information

Alternative Products

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