セルチンドール
1-(4-フルオロフェニル)-5-クロロ-3-[1-[2-[(テトラヒドロ-2-オキソ-1H-イミダゾール)-1-イル]エチル]ピペリジン-4-イル]-1H-インドール · 1-[2-[4-[1-(4-フルオロフェニル)-5-クロロ-1H-インドール-3-イル]ピペリジノ]エチル]イミダゾリジン-2-オン · セルチンドール · 1-(4-フルオロフェニル)-5-クロロ-3-[1-[2-(2-オキソ-1-イミダゾリジニル)エチル]-4-ピペリジニル]-1H-インドール · 1-[2-[4-[5-クロロ-1-(4-フルオロフェニル)-1H-インドール-3-イル]-1-ピペリジニル]エチル]-2-イミダゾリジノン · 1-(2-{4-[5-クロロ-1-(4-フルオロフェニル)-1H-インドール-3-イル]ピペリジン-1-イル}エチル)イミダゾリジン-2-オン · S-1991 · Zerdol
識別子と物理属性
| CAS No. | 106516-24-9 |
|---|---|
| 分子式 | C24H26ClFN4O |
| 平均分子量 | 440.9 g/mol |
| 単同位体質量 | 440.17791735 g/mol |
| SMILES | O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 |
| InChIKey | GZKLJWGUPQBVJQ-UHFFFAOYSA-N |
| PubChem CID | 60149 |
| ChEMBL | CHEMBL12713 |
| ChEBI | CHEBI:9122 |
| EC No. | 634-595-9 |
| DTXSID | DTXSID6048967 |
| 現地名 | セルチンドール |
化学・物理的性質
| XLogP | 4.1 |
|---|---|
| 極性表面積 | 40.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 5 |
| 重原子数 | 31 |
| 形式電荷 | 0 |
| 複雑度 | 623 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> AntipsychoticsPharmaceuticals -> Nervous system -> Antipsychotics |
| 溶解度 | 9.63e-03 g/LDMSO：>10mg/mL |
| Physical Description | Solid |
| Collision Cross Section | 215.9 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 融点 | 95-100°C |
| 沸点 | 592.1±50.0 °C(Predicted) |
| 密度 | 1.36 |
| 貯蔵条件 | Sealed in dry,2-8°C |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 14.53±0.20(Predicted) |
| 色 | オフホワイト |
| Merck | 14,8466 |
| InChI | InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) |
| InChIKey | GZKLJWGUPQBVJQ-UHFFFAOYSA-N |
| SMILES | C1(=O)N(CCN2CCC(C3C4=C(N(C5=CC=C(F)C=C5)C=3)C=CC(Cl)=C4)CC2)CCN1 |
化学的特性
Off-White to Pale Yellow Solid
安全性と法規制
| GHS 分類 | WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (95.2%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | NJ0621100 |
| 税関コード | 2933.99.6100 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26 |
用途
説明
Serdolect was launched in the UK for acute and chronic schizophrenia and schizoaffective psychoses. It is synthetically available in three steps from 5chloro-l- (4-fluorophenyl)-l H-indole. Sertindole is selective for the limbic areas of the brain and has a high affinity for the serotinin 5-HT2 receptor where it behaves as an antagonist. It has weak affinity for the α1-adrenergic receptor and no affinity for dopamine D2 receptors. It is as effective as haloperidol but without the extrapyramidal symptoms. This may be a consequence of the fact that it expresses the c-fos protein in a manner different for haloperidol but similar to clozapine. It is non-sedating, long lasting (several days after a single dose) and has an atypical mode of action.
使用
Antipsychotic used in the treatment of schizophrenia.