ChemicalBook--->CAS DataBase List--->1187020-80-9

1187020-80-9

1187020-80-9 Structure

1187020-80-9 Structure
IdentificationBack Directory
[Name]

lumateperone (Tosylate)
[CAS]

1187020-80-9
[Synonyms]

ITI 007
Lumateperone(ITI-007)
Lumateperone, Caplyta
lumateperone (Tosylate)
lumateperone (Tosylate) ISO 9001:2015 REACH
ITI-007;ITI 007;ITI007;LUMATEPERONE;1187020-80-9
ITI-722; ITI722; ITI 722; ITI-007; ITI007; ITI 007; LUMATEPERONE, CAPLYTA,
1-(4-Fluorophenyl)-4-[(6bR,10aS)-2,3,6b,9,10,10a-hexahydro-3-methyl-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]-1-butanone 4-methylbenzenesulfonate (1:1)
[Molecular Formula]

C31H36FN3O4S
[MDL Number]

MFCD29922434
[MOL File]

1187020-80-9.mol
[Molecular Weight]

565.699
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:7): 0.12 mg/ml; DMSO: 10 mg/ml; Ethanol: 1 mg/ml
[form ]

A solid
[color ]

White to gray
[Optical Rotation]

[α]/D -10 to -14, c =1 in DMSO
[InChIKey]

LHAPOGAFBLSJJQ-HXLBOWIHNA-N
[SMILES]

S(C1C=CC(C)=CC=1)(O)(=O)=O.CN1CCN2[C@@]3([H])CCN(CCCC(C4C=CC(F)=CC=4)=O)C[C@@]3([H])C3=CC=CC1=C32 |&1:16,34,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H336-H361f
[Precautionary statements ]

P202-P261-P271-P280-P304+P340+P312-P308+P313
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Repr. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

lumateperone (Tosylate) is a new second-generation antipsychotic indicated for treating schizophrenia that can potentially alleviate positive and negative symptoms. This drug interacts with dopamine, serotonin, and glutamate, making it unique compared to other antipsychotics. Its highly selective nature for D2R receptors in specific brain regions decreases unfavorable adverse effects and makes it a safer drug[1].
[Biochem/physiol Actions]

Lumateperone tosylate (ITI-007) is an orally active, potent 5-HT2A antagonist, postsynaptic D2 antagonist, and serotonin transporter SERT inhibitor (Ki = 0.5, 32, 62 nM, respectively) with in vivo antipsychotic efficacy and no effect toward receptors associated with cognitive and metabolic side effects of antipsychotic drugs (e.g., H1, 5-HT2C, muscarinic). ITI-007 blocks DOI-induced headtwitch (ID50 = 0.09 mg/kg, po.) and D-AMPH-induced hyperlocomotion in mice (ID50 = 0.95 mg/kg, po.), while also acting as a partial agonist at presynaptic striatal D2 receptors.
[References]

[1] Kunal Maini. “Lumateperone tosylate, A Selective and Concurrent Modulator of Serotonin, Dopamine, and Glutamate, in the Treatment of Schizophrenia.” Health Psychology Research (2021): 24932.
Spectrum DetailBack Directory
[Spectrum Detail]

lumateperone (Tosylate)(1187020-80-9)1HNMR
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