化工社化工社 化学情報印刷レポート · 研究参考用
ピンドロール
l-ピンドロール · カルビスケン · カルジレート · 1-[(1H-インドール-4-イル)オキシ]-3-(イソプロピルアミノ)プロパン-2-オール · 1-(1H-インドール-4-イルオキシ)-3-[(1-メチルエチル)アミノ]-2-プロパノール · 1-(1H-インドール-4-イルオキシ)-3-(イソプロピルアミノ)-2-プロパノール · ビリンガル · ブロックリンL
識別子と物理属性
| CAS No. | 13523-86-9 |
|---|---|
| 分子式 | C14H20N2O2 |
| 平均分子量 | 248.32 g/mol |
| 単同位体質量 | 248.15247788 g/mol |
| SMILES | CC(C)NCC(O)COc1cccc2[nH]ccc12 |
| InChIKey | JZQKKSLKJUAGIC-UHFFFAOYSA-N |
| PubChem CID | 4828 |
| ChEMBL | CHEMBL500 |
| ChEBI | CHEBI:8214 |
| EC No. | 236-867-9 |
| DTXSID | DTXSID8023476 |
| 現地名 | ピンドロール |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 57.3 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 6 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 248 |
| 医薬品 | Pharmaceuticals |
| LogP（分配係数） | log Kow = 1.751.9 |
| 臭い | Faint odor |
| Color/Form | Crystals from ethanolWhite to off-white crystalline powder |
| 溶解度 | Practically InsolublePractically insoluble in water and slightly soluble in alcohol8.61e-01 g/L>37.2 [ug/mL] (The mean of the results at pH 7.4)0.1 M NaOH: 0.2 mg/mL33mg/L(22.5℃) |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihypertensive AgentsAdrenergic Beta-AntagonistsAntiarrhythmicsFDA approved drugs -> Active ingredientPharmaceuticals |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 融点 | 171-173 °C167 - 171 °C167-171 °C(lit.) |
| Physical Description | Solid |
| Dissociation Constants | 9.549.25 |
| Collision Cross Section | 159.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]152.36 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]157.6 Ų [M+H]+ [CCS Type: TW |
| 沸点 | 391.39°C (rough estimate) |
| 密度 | 1.0606 (rough estimate) |
| 屈折率 | 1.5110 (estimate) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | pKa 9.26 (Uncertain) |
| 色 | ホワイトからオフホワイト |
| Merck | 13,7525 |
| 主な用途 | 医薬品（低分子化合物） |
| InChI | InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 |
| InChIKey | JZQKKSLKJUAGIC-UHFFFAOYSA-N |
| SMILES | C(OC1=CC=CC2=C1C=CN2)C(O)CNC(C)C |
| CAS データベース | 13523-86-9(CAS DataBase Reference) |
| NISTの化学物質情報 | Pindolol(13523-86-9) |
| EPAの化学物質情報 | 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- (13523-86-9) |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | WarningH302 (90.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Pindolol: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-: Environment tier I assessment |
| FDA 要件 | The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl pindolol, approved on the basis of safety and effectiveness by FDA under sections 505 and 507 of the Federal Food, Drug, and Cosmetic Act.Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392). |
| Hazard Classes and Categories | Acute Tox. 4 (90.7%)Acute toxicity (Oral) - Category 3 |
| 保管条件 | Pindolol tablets should be protected from light and stored in well-closed containers. |
| 処分方法 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| 体内負荷 | /Pindolol/ ... is distributed into milk. |
用途
用途
薬理研究用。
用途
Βアドレナリン遮断剤、高血圧、不整脈の治療
用途
β1 選択的遮断剤です。
使用
Pindolol, like nadolol, is a nonselective β-adrenoblocker. It possesses antianginal, antihypotensive, and antiarrythmic action. It is used for arterial hypertension, angina stress (preventing attacks), supraventricular tachycardia, tachsystolic form of atrial fibrillation, and superventricular extrasystole.