CAS: 868049-49-4; Olodaterol

该化合物是一个长效乙型2-adre受体激动剂(LABA),主要用作管理慢性阻塞性肺病(COPD)的支气管. 它的主要优点包括:对乙型2-阻塞性肺病(COPD)的高度选择性,最大限度地减少心血管副作用,以及长时间行动,允许每天一次施药. Olodatero 显示行动迅速开始,在吸入几分钟内提供症状缓解. 化合物显示出有利的药效动力特性, 包括低系统接触和高效的肺保留, 强化其治疗指数. 临床研究支持它改善肺功能和减少COPD病人的恶化. 它与混合疗法的兼容性进一步强调了其在呼吸医学中的实用性.

⚠️《2026年兴奋剂目录》
英文名称Olodaterol
中文名称6-羟基-8-[(1R)-1-羟基-2-[[2-(4-甲氧基苯基)-1,1-二甲基乙基]氨基]乙基]-2H-1,4-苯并恶嗪-3(4H)-酮
IUPAC名称(R)-6-hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS编号868049-49-4
MFCD编号:MFCD16619349
EINECS号:813-858-3
FDA UNII编号:VD2YSN1AFD
分子式:C21H26N2O5
分子量:386.44
产品CID: 1871094
同类组份化合物CAS868049-49-4 (free base)869477-96-3 (HCl)
产品分类原料药 → 激素及调节内分泌功能类药 → 肾上腺皮质激素类药

相似结构搜索
InChIKey: COUYJEVMBVSIHV-SFHVURJKSA-N
1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)…
计算化学: 氢键受体数6.0氢键供体数4.0可旋转键数7.0

物理性质

沸点649.0±55.0 °C at 760 mmHg
闪点346.3±31.5 °C
密度1.3±0.1 g/cm3
pKa:9.42±0.20(预测)
PSA:103.54
LogP:1.17
折射率1.596
蒸汽压0.0±2.0 mmHg at 25°C
溶解性DMF: 20 mg/mL; DMF:Pbs (Ph 7.2) (1:3): 0.25 mg/mL; DMSO: 15 mg/mL; Ethanol: 1 mg/mL
外观形态淡黄色至卡其色结晶性固体
储存条件-20°C，密闭，干燥环境
产品应用该化合物用于吸入治疗慢性阻塞性肺病患者(COPD).

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
严重眼刺激类别2
特定目标器官毒性-重复接触类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
H319 |造成严重眼刺激.
H372 |长期或反复接触损害器官.
防范说明P264-P280-P305+P351+P338-P337+P313P-P260-P264-P270-P314-P501-P264-P270-P301+P312-P330-P501

欧盟法规

C&L通报

上下游产品

CAS号869478-13-7 8-[(1R)-1-羟基-2-...

合成工艺路线路线简述

合成目标产物 Olodaterol 主要起始原料 8-[(1R)-1-Hydroxy-2-[[2-(4-Methoxyphenyl)-1,1-Dimethylethyl]Amino]Ethyl]-6-(Phenylmethoxy)-2H-1,4-Benzoxazin-3(4H)-One
124955-27-7 + 56490-94-9 = 868049-49-4
反应条件:1.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C1.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

869478-12-6 + 56490-94-9 = 868049-49-4
反应条件:1.1 Solvents: Isopropanol; 140 °C1.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

869478-11-5 = 868049-49-4
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C2.1 Solvents: Isopropanol; 140 °C2.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

861841-94-3 = 868049-49-4
反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol; Rt2.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux3.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C4.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine5.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C6.1 Solvents: Isopropanol; 140 °C6.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

30992-63-3 = 868049-49-4
反应条件:1.1 Reagents: Fuming Nitric Acid Solvents: Acetic Acid2.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol3.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C -> Rt; 6 H,Reflux4.1 Reagents: Selenium Dioxide Solvents: 1,4-Dioxane,Water; Reflux5.1 Solvents: Ethanol; 2 H,Reflux6.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C6.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

30992-63-3 = 868049-49-4
反应条件:1.1 Reagents: Nitric Acid Solvents: Acetic Acid; Rt2.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol; Rt3.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux4.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C5.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine6.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C7.1 Solvents: Isopropanol; 140 °C7.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

490-78-8 = 868049-49-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 4 D,Rt2.1 Reagents: Nitric Acid Solvents: Acetic Acid; Rt3.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol; Rt4.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux5.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C6.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine7.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C8.1 Solvents: Isopropanol; 140 °C8.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

51706-55-9 = 868049-49-4
反应条件:1.1 Reagents: Sodium Carbonate,Benzyl Chloroformate Solvents: Dichloromethane,Water; Rt1.2 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Rt1.3 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Rt2.1 Solvents: Isopropanol; 140 °C2.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

693273-07-3 = 868049-49-4
反应条件:1.1 Solvents: Ethanol; 2 H,Reflux2.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C2.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

869478-09-1 = 868049-49-4
反应条件:1.1 Reagents: Selenium Dioxide Solvents: 1,4-Dioxane,Water; Reflux2.1 Solvents: Ethanol; 2 H,Reflux3.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C3.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

869478-09-1 = 868049-49-4
反应条件:1.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C2.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine3.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C4.1 Solvents: Isopropanol; 140 °C4.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

869478-10-4 = 868049-49-4
反应条件:1.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine2.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C3.1 Solvents: Isopropanol; 140 °C3.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

79-04-9 + 861841-90-9 = 868049-49-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C -> Rt; 6 H,Reflux2.1 Reagents: Selenium Dioxide Solvents: 1,4-Dioxane,Water; Reflux3.1 Solvents: Ethanol; 2 H,Reflux4.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C4.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

79-04-9 + 861841-90-9 = 868049-49-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux2.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C3.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine4.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C5.1 Solvents: Isopropanol; 140 °C5.2 Reagents: Hydrochloric Acid Catalysts: Palladium Solvents: Methanol
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

861841-94-3 = 868049-49-4
反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol2.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C -> Rt; 6 H,Reflux3.1 Reagents: Selenium Dioxide Solvents: 1,4-Dioxane,Water; Reflux4.1 Solvents: Ethanol; 2 H,Reflux5.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C5.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231]

490-78-8 = 868049-49-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 4 D,Rt2.1 Reagents: Fuming Nitric Acid Solvents: Acetic Acid3.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol4.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C -> Rt; 6 H,Reflux5.1 Reagents: Selenium Dioxide Solvents: 1,4-Dioxane,Water; Reflux6.1 Solvents: Ethanol; 2 H,Reflux7.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; Rt -> 0 °C7.2 Reagents: Tert-Butyl Nitrite,Sulfuric Acid Solvents: Methanol,Water; Rt
标题:A New Generation Of Inhaled Long-Acting β2-Adrenoceptor Agonist Olodaterol
作者:Tian,Miao; Et Al
参考文献:Xiandai Yaowu Yu Linchuang 日期:2013 卷标:28(2) 页码:227-231

盐酸奥达特罗置于potassium Carbonate体系中,用水,乙酸乙酯作为反应溶剂,以37%的收率获得产物奥达特罗
参考文献:New Enentiomerically Pure Beta Agonists,Process For The Manufacture Thereof And Use Thereof As Medicaments
标题:New Enentiomerically Pure Beta Agonists,Process For The Manufacture Thereof And Use Thereof As Medicaments
摘要:本发明涉及公式1的对映纯化合物,其中基团r1,R2,R3,R4和x−可能具有索赔和说明书中给定的含义,以及用于制备它们的工艺和将其用作药物组合物的用途,特别是用作用于呼吸系统疾病的药物组合物.

海关参考信息

2902600000-乙苯
2906210000-苄醇
2912110000-甲醛
2912120000-乙醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

台州嘉诺华生物科技有限公司

网址: http://www.canova.com.cn
企业联系电话：0576-81122208、81101151👤
地址:台州市黄岩区西城街道县前社区塔院头路76号

⚠️ 未注册 · 未认证企业

备注: 📌 数据来源说明：本展台内容基于各搜索引擎等公开数据整理，仅作展示用途。请用户自行辨别
✉️ 若企业需抹除展台内容或有异议，请通过页面底部联系方式告知我们，我们会尽快处理。

台州市科瑞生物技术有限公司

网址: http://www.pharm-intermediates.com
企业联系电话：0576-88813233👤
地址:台州市开发大道东段288号

⚠️ 未注册 · 未认证企业

第 1 / 1 页

现货

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

1: Drugs and Lactation Database (LactMed®) [Internet]. Bethesda (MD): National Institute of Child Health and Human Development; 2006–. Olodaterol. 2024 Jul 15. 79(9):997-1008. doi: 10.1007/s40265-019-01133-w. Erratum in: Drugs. 2019 Aug;79(12):1365. doi: 10.1007/s40265-019-01172-3.
3: Cazzola M, Rinaldi B, Lucà G, Ora J. Olodaterol for the treatment of asthma. Expert Opin Investig Drugs. 2016 Jul;25(7):861-6. doi: 10.1080/13543784.2016.1188078. Epub 2016 May 23. 19(14):1603-1611. doi: 10.1080/14656566.2018.1518431. Epub 2018 Oct 12. 76(1):135-46. doi: 10.1007/s40265-015-0527-2. 73(15):1135-43. doi: 10.2146/ajhp150364. Epub 2016 Jun 28. 57(1482):161-2. 75(6):665-73. doi: 10.1007/s40265-015-0371-4.
11:3163-3177. doi: 10.2147/COPD.S92840.

合成参考文献

参考文献:10.1007/s00210-011-0655-5
摘要:Lamyel F, Warnken-Uhlich M, Seemann WK, Mohr K, Kostenis E, Ahmedat AS, Smit M, Gosens R, Meurs H, Miller-Larsson A, Racké K. The β2-subtype of adrenoceptors mediates inhibition of pro-fibrotic events in human lung fibroblasts. Naunyn Schmiedebergs Arch Pharmacol. 2011 Aug;384(2):133–45. doi: 10.1007/s00210-011-0655-5.
参考文献:10.1038/s41533-016-0002-x
摘要:Ferguson GT, Karpel J, Bennett N, Clerisme-Beaty E, Grönke L, Voß F, Buhl R. Effect of tiotropium and olodaterol on symptoms and patient-reported outcomes in patients with COPD: results from four randomised, double-blind studies. npj Primary Care Respiratory Medicine. 2017 Feb 02;27(1):7. doi: 10.1038/s41533-016-0002-x.
参考文献:10.1007/s12325-020-01438-3
摘要:Wedzicha JA, Buhl R, Singh D, Vogelmeier CF, de la Hoz A, Xue W, Anzueto A, Calverley PMA. Tiotropium/Olodaterol Decreases Exacerbation Rates Compared with Tiotropium in a Range of Patients with COPD: Pooled Analysis of the TONADO®/DYNAGITO® Trials. Adv Ther. 2020 Oct;37(10):4266–79. doi: 10.1007/s12325-020-01438-3.
参考文献:10.1002/pds.5432
摘要:Rebordosa C, Farkas DK, Montonen J, Laugesen K, Voss F, Aguado J, Bothner U, Rothman KJ, Zint K, Mines D, Ehrenstein V. Cardiovascular events and all-cause mortality in patients with chronic obstructive pulmonary disease using olodaterol and other long-acting beta2-agonists. Pharmacoepidemiol Drug Saf. 2022 Aug;31(8):827–39.