化工社化工社 化学情報印刷レポート · 研究参考用
HCID 2216作成日：2026年10月27日
アプラクロニジン
p-アミノクロニジン · アプロニジン · 2,6-ジクロロ-N-[(4,5-ジヒドロ-1H-イミダゾール)-2-イル]-1,4-ベンゼンジアミン · アプラクロニジン · 2-[(4-アミノ-2,6-ジクロロフェニル)イミノ]イミダゾリジン · 2,6-ジクロロ-N1-(イミダゾリジン-2-イリデン)ベンゼン-1,4-ジアミン · NC-14 · Aplonidine
https://huagongshe.com/ja/chemical/2216
識別子と物理属性
| CAS No. | 66711-21-5 |
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| 分子式 | C9H10Cl2N4 |
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| 平均分子量 | 245.11 g/mol |
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| 単同位体質量 | 244.02825168 g/mol |
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| SMILES | Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |
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| InChIKey | IEJXVRYNEISIKR-UHFFFAOYSA-N |
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| PubChem CID | 2216 |
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| ChEMBL | CHEMBL647 |
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| ChEBI | CHEBI:2788 |
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| EC No. | 636-293-2 |
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| DTXSID | DTXSID1048415 |
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| 現地名 | アプラクロニジン |
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化学・物理的性質
| XLogP | 1.3 |
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| 極性表面積 | 62.4 |
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| 水素結合供与体数 | 3 |
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| 水素結合受容体数 | 2 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 15 |
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| 形式電荷 | 0 |
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| 複雑度 | 246 |
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| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
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| LogP（分配係数） | 1.4 |
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| 溶解度 | 4.09e-01 g/L45% (w/v) 2-ヒドロキシプロピル-β-シクロデキストリン水溶液: 1.4mg/mL、溶液は 4°C で数日間保存可能 |
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| Human Drugs | Breast FeedingLactationAdrenergic alpha-2 Receptor AgonistsAntiglaucoma Agents |
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| Physical Description | Solid |
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| 融点 | >230° |
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| 沸点 | 395.5±52.0 °C(Predicted) |
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| 密度 | 1.63±0.1 g/cm3(Predicted) |
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| 貯蔵条件 | Sealed in dry,2-8°C |
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| pKa（酸解離定数） | 9.26±0.50(Predicted) |
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| 外観・状態 | 個体 |
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| 色 | 白い |
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| CAS データベース | 66711-21-5(CAS DataBase Reference) |
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安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
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| 水環境危害等級（WGK） | 3 |
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| 輸送番号（UN） | UN 2811 6.1/PG 1 |
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| 危険文句（R） | 23/24/25 |
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| 危険表示 | T |
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| 安全措置（S） | 22-36/37/39-45 |
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用途
一般的な説明
In addition to its therapeutic use as an antihypertensiveagent, clonidine has been found to provide beneficialeffects in several other situations, including glaucoma,spasticity, migraine prophylaxis, opiate withdrawal syndrome,and anesthesia. This has prompted the developmentof analogs of clonidine for specific use in some of the mentionedareas. Two of such examples are apraclonidine andbrimonidine. Apraclonidine does not cross the BBB.However, brimonidine can cross the BBB and hence canproduce hypotension and sedation, although these CNSeffects are slight compared with those of clonidine. CNS effectsof these drugs are correlated well to their log P, pKa,and thus log D value. Both apraclonidine and brimonidineare selective α2-agonists with α1: α2 ratios of 30:1 and1,000:1, respectively. Brimonidine is a much more selectiveα2-agonist than clonidine or apraclonidine and is a firstlineagent for treating glaucoma. Apraclonidines’s primarymechanism of action may be related to a reduction of aqueousformation, whereas brimonidine lowers intraocularpressure by reducing aqueous humor production and increasinguveoscleral outflow. Apraclonidine is used specificallyto control elevations in intraocular pressure that canoccur during laser surgery on the eye. Another example istizanidine (Zanaflex), which finds use in treating spasticityassociated with multiple sclerosis or spinal cord injury. Bystimulating 2-adrenergic receptors, it is believed to decreasethe release of excitatory amino acid NTs from spinalcord interneurons.
