トリメタジジン塩酸塩
1-(2,3,4-トリメトキシベンジル)ピペラジン·2塩酸塩 · タックミント · トリメタジジン·2塩酸塩 · バスタレルF · トリメタジン塩酸塩 · 塩酸トリメタジジン · 1-(2,3,4-トリメトキシベンジル)ピペラジン·二塩酸塩 · ヨウメタジン
識別子と物理属性
| CAS No. | 13171-25-0 |
|---|---|
| 分子式 | C14H24Cl2N2O3 |
| 平均分子量 | 339.3 g/mol |
| 単同位体質量 | 338.11639799 g/mol |
| SMILES | COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl |
| InChIKey | VYFLPFGUVGMBEP-UHFFFAOYSA-N |
| PubChem CID | 83201 |
| ChEMBL | CHEMBL3561076 |
| ChEBI | CHEBI:32262 |
| EC No. | 236-117-0 |
| DTXSID | DTXSID1045407 |
| 現地名 | トリメタジジン塩酸塩 |
化学・物理的性質
| 極性表面積 | 43 |
|---|---|
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 5 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 259 |
| Collision Cross Section | 159.9 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 融点 | 231-235 °C(lit.) |
| 貯蔵条件 | Refrigerator |
| 溶解度 | 水に溶けやすく、アルコールにやや溶けにくい。 |
| 外観・状態 | Solid |
| 色 | ホワイトからオフホワイト |
| Merck | 14,9705 |
| 安定性 | 吸湿性 |
| InChI | InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H32*1H |
| InChIKey | XIRALXKCBGTYSC-UHFFFAOYSA-N |
| SMILES | C1(C=CC(OC)=C(OC)C=1OC)CN1CCNCC1.Cl.Cl |
| CAS データベース | 13171-25-0(CAS DataBase Reference) |
化学的特性
Crystalline Solid
安全性と法規制
| GHS 分類 | WarningH302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 111 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98.2%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | TM2976100 |
| 毒性 | LD50 in male, female mice, rats (mg/kg): 91, 107, 124, 124 i.v.264, 245, 327, 288 i.p.528, 608, 1147, 987 orally (Harpey) |
| 税関コード | 29339900 |
| 危険文句（R） | 22-36/37/38 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
血管拡張作用による狭心症、心筋梗塞などの治療薬。
説明
Trimetazidine (hydrochloride) (Item No. 18165) is an analytical reference standard that is structurally categorized as a piperazine. It decreases fatty acid β-oxidation by reversibly inhibiting mitochondrial long-chain 3-ketoacyl thiolase (IC50 = 75 nM). This, in turn, stimulates glucose oxidation. In ischemic heart, trimetazidine reduces ischemia/reperfusion injury in clinical trials. Compounds that reduce mitochondrial fatty acid β-oxidation, including trimetazidine, have shown clinical efficacy against chronic stable angina in clinical trials. In part because of its ability to ameliorate testosterone cardiotoxicity, trimetazidine has been classified as a prohibited substance by the World Anti-Doping Agency. This product is intended for research and forensic applications.
使用
1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride or trimetazidine dihydrochloride can be used as a building block to synthesize: Phenylpropyl trimetazidine derivatives with potent cerebral vasodilator activity.Benzoylguanidine-trimetazidine derivatives for myocardial ischemic-reperfusion activity studies.