ChemicalBook--->CAS DataBase List--->313368-91-1

313368-91-1

313368-91-1 Structure

313368-91-1 Structure
IdentificationBack Directory
[Name]

ITI-722
[CAS]

313368-91-1
[Synonyms]

ITI-722
Lumateperone
ITI-722 lumateperone
Lumateperone ITI-722
313368-91-1Lumateperone(ITI-007)
1-(4-fluorophenyl)-4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3‘,4‘:4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)butan-1-one
1-(4-fluorophenyl)-4-((6bR,10aS)-3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(9H)-yl)butan-1-one
1-(4-Fluorophenyl)-4-[(6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]-1-butanone
1-Butanone, 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]-
presynaptic D2 receptor,dopamine D1 receptor,Serotonin Receptor,postsynaptic D2 receptor,Dopamine Receptor,5-HT2A,schizophrenia,ITI 007,Lumateperone,inhibit,Inhibitor,5-HT Receptor,5-hydroxytryptamine Receptor
[Molecular Formula]

C24H28FN3O
[MDL Number]

MFCD28502161
[MOL File]

313368-91-1.mol
[Molecular Weight]

393.497
Chemical PropertiesBack Directory
[Boiling point ]

556.4±50.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[form ]

Oil
[pka]

9.10±0.20(Predicted)
[color ]

Colorless to light yellow
[InChIKey]

HOIIHACBCFLJET-SFTDATJTSA-N
[SMILES]

C(C1=CC=C(F)C=C1)(=O)CCCN1C[C@@]2([H])C3=CC=CC4=C3N([C@@]2([H])CC1)CCN4C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

Lumateperone is a novel antipsychotic agent with a unique mechanism of action with high 5-hydroxytryptamine 2A(5-HT2A) blocking activity. A Phase 2 study in treatment of insomnia revealed strong evidence of efficacy, with no impairment of next-day cognition.
[Uses]

Lumateperone was a drug developed for the treatment of schizophrenia. May have applications in bipolar depression.
[Synthesis]

Synthesis of Lumateperone
Lumateperone synthesis
[in vivo]

Lumateperone (i.p., 1-10 mg/kg) promotes NMDA and AMPA-induced currents in a dopamine D1 receptor-dependent manner and increases the release of dopamine and glutamate in rat mPFC slices[2].

Animal Model:Adult male Sprague-Dawley rats[2]
Dosage:1-10 mg/kg
Administration:Intraperitoneal injection
Result:Inhibited avoidance response at concentrations of 1, 3 and 10 mg/kg after 20 minutes.
Promoted NMDA and AMPA-sensitive currents, also significantly increased dopamine and glutamate release at 10 mg/kg in mPFC cone cells of rat.
[IC 50]

D1 Receptor; D2 Receptor
[storage]

Store at 0-8℃
[References]

[1] Patent: US2004/220178, 2004, A1
Questions And AnswerBack Directory
[Physical Form]

white solid
Spectrum DetailBack Directory
[Spectrum Detail]

ITI-722(313368-91-1)1HNMR
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