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SML2866

Sigma-Aldrich

Lumateperone tosylate

≥98% (HPLC)

Sinônimo(s):

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]butan-1-one 4-methylbenzenesulfonate, 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)-1-(4-fluorophenyl)-butan-1-one 4-methylbenzenesulfonate, ITI-007

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About This Item

Fórmula empírica (Notação de Hill):
C24H28FN3O · C7H8O3S
Número CAS:
1187020-80-9
Peso molecular:
565.70
Número MDL:
MFCD29922434
Código UNSPSC:
12352200
NACRES:
NA.77

Nível de qualidade

100

Ensaio

≥98% (HPLC)

forma

powder

atividade óptica

[α]/D -10 to -14, c = 1 in DMSO

cor

white to very dark gray

solubilidade

DMSO: 2 mg/mL, clear

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

O=C(C1=CC=C(F)C=C1)CCCN2CC[C@]([C@@]3([H])C2)([H])N4CCN(C)C5=C4C3=CC=C5.O=S(C6=CC=C(C)C=C6)(O)=O

InChI

1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1

chave InChI

LHAPOGAFBLSJJQ-GUTACTQSSA-N

Ações bioquímicas/fisiológicas

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.

Pictogramas

Health hazardExclamation mark
GHS08,GHS07

Palavra indicadora

Warning

Frases de perigo

H336,H361f

Classificações de perigo

Repr. 2 - STOT SE 3

Órgãos-alvo

Central nervous system

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Certificados de análise (COA)

Busque Certificados de análise (COA) digitando o Número do Lote do produto. Os números de lote e remessa podem ser encontrados no rótulo de um produto após a palavra “Lot” ou “Batch”.

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Peng Li et al.
Journal of medicinal chemistry, 57(6), 2670-2682 (2014-02-25)
We report the synthesis and structure-activity relationships of a class of tetracyclic butyrophenones that exhibit potent binding affinities to serotonin 5-HT(2A) and dopamine D2 receptors. This work has led to the discovery of 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)-1-(4-fluorophenyl)-butan-1-one 4-methylbenzenesulfonate (ITI-007), which is a potent
Robert E Davis et al.
Psychopharmacology, 232(15), 2863-2872 (2015-04-07)
Central modulation of serotonin and dopamine underlies efficacy for a variety of psychiatric therapeutics. ITI-007 is an investigational new drug in development for treatment of schizophrenia, mood disorders, and other neuropsychiatric disorders. The purpose of this study was to determine
Kimberly E Vanover et al.
Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology, 44(3), 598-605 (2018-11-20)
Dopamine D2 receptor occupancy (D2RO) is a key feature of all currently approved antipsychotic medications. However, antipsychotic efficacy associated with high D2RO is often limited by side effects such as motor disturbances and hyperprolactinemia. Lumateperone (ITI-007) is a first-in-class selective
Gretchen L Snyder et al.
Psychopharmacology, 232(3), 605-621 (2014-08-15)
Schizophrenia remains among the most prevalent neuropsychiatric disorders, and current treatment options are accompanied by unwanted side effects. New treatments that better address core features of the disease with minimal side effects are needed. As a new therapeutic approach, 1-(4-fluoro-phenyl)-4-((6bR

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