SML2866

Lumateperone tosylate

≥98% (HPLC)

• 別名: 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
• 実験式（ヒル表記法）: C₂₄H₂₈FN₃O · C₇H₈O₃S
• CAS番号: 1187020-80-9
• 分子量: 565.70
• MDL番号: MFCD29922434
• UNSPSCコード: 12352200
• NACRES: NA.77

特性

• 品質水準: 100
• アッセイ: ≥98% (HPLC)
• フォーム: powder
• 光学活性: [α]/D -10 to -14, c = 1 in DMSO
• 色: white to very dark gray
• 溶解性: DMSO: 2 mg/mL, clear
• 保管温度: 2-8°C
• SMILES記法: 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
• InChI Key: LHAPOGAFBLSJJQ-GUTACTQSSA-N

詳細

生物化学的／生理学的作用

Lumateperone tosylate (ITI-007) is an orally active, potent 5-HT2A antagonist, postsynaptic D2 antagonist, and serotonin transporter SERT inhibitor (K_i = 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.

Orally active, potent 5-HT2A antagonist, postsynaptic D2 antagonist, and serotonin transporter SERT inhibitor with in vivo antipsychotic efficacy.

安全性情報

• ピクトグラム: GHS08,GHS07
• シグナルワード: Warning
• 危険有害性情報: H336,H361f
• 注意書き: P202 - P261 - P271 - P280 - P304 + P340 + P312 - P308 + P313
• 危険有害性の分類: Repr. 2 - STOT SE 3
• ターゲットの組織: Central nervous system
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3