138786-67-1

• 常用中文名：潘托拉唑钠
• 常用英文名：Pantoprazole sodium
• CAS号：138786-67-1
• 分子式：C₁₆H₁₄F₂N₃NaO₄S
• 分子量：405.35200
• 相关类别： 原料药 消化系统用药 抗酸及胃黏膜保护药
• 发布时间：2018-02-05 08:00:00
• 更新时间：2024-01-02 09:15:08
• Pantoprazole钠盐(SKF96022; Protonix)是质子泵抑制剂。
• 抗酸药及抗溃疡药，用于治疗胃及十二指肠溃疡病、胃溃疡急性胃粘膜病变，复合性胃溃疡等急性上消化道出血的治疗。

名称

• 中文名: 潘托拉唑钠
• 英文名: Pantoprazole sodium
• 中文别名: 5-二氟甲氧基-2-[(3,4-二甲氧基-2-吡啶基)甲基]亚硫酰基-1H-苯骈咪唑钠盐; 泮托拉唑钠; 泮托拉唑钠一水合物
• 英文别名: Pantoprazole; MFCD01658543; sodium 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide; Sodium 6-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide; Pantoprazole sodium; 1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1); protium; Sodium 5-(difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}benzimidazol-1-ide; 1H-benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt; Protonix; 5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl) sulfinyl)-1H-benzimidazole sodium; 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1); Pantoprazole Sodium Salt; Pantoprazole (sodium)

物化性质

• 沸点: 586.9ºC at 760 mmHg
• 熔点: 199-202ºC
• 分子式: C₁₆H₁₄F₂N₃NaO₄S
• 分子量: 405.35200
• 闪点: 308.7ºC
• 精确质量: 405.05700
• PSA: 94.68000
• LogP: 3.53580
• 外观性状: 白色至灰白色固体
• 储存条件: -20°C Freezer

生物活性

• 描述: Pantoprazole钠盐(SKF96022; Protonix)是质子泵抑制剂。
• 相关类别:
  信号通路 >> 自噬 >> 自噬
  信号通路 >> 跨膜转运 >> 质子泵
  研究领域 >> 其他
• 参考文献:

  [1]. http://www.drugbank.ca/drugs/DB00213

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Pantoprazole sodium Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Pantoprazole sodium CAS number:138786-67-1 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C16H14F2N3NaO4S Molecular weight:405.4 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DD8264000 CHEMICAL NAME : 1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)me thyl)sulfinyl)-, sodium salt CAS REGISTRY NUMBER : 138786-67-1 LAST UPDATED : 199503 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C16-H14-F2-N3-O4-S.Na MOLECULAR WEIGHT : 405.38 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 747 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,801,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 256 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,801,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,801,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 395 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 15,801,1990

安全

• 危害码 (欧洲): Xn:Harmful
• 风险声明 (欧洲): R20/21/22-37/38-41-48
• 安全声明 (欧洲): S22-26-36/37/39-45
• 海关编码: 2933990090

合成路线

102625-70-7 ~95% 138786-67-1

文献：TEVA PHARMACEUTICAL INDUSTRIES LTD.; TEVA PHARMACEUTICALS USA, INC. Patent: WO2004/111029 A2, 2004 ; Location in patent: Page 24 ;

102625-64-9 ~97% 138786-67-1

文献：MACLEODS PHARMACEUTICALS LIMITED Patent: WO2009/66317 A2, 2009 ; Location in patent: Page/Page column 8 ;

409098-86-8 ~70% 138786-67-1

文献：Napoletano, Caterina; Porta, Eleonora; Allegrini, Pietro; Castaldi, Graziano Patent: US2005/96352 A1, 2005 ; Location in patent: Page/Page column 4 ;

97963-62-7 72830-09-2 ~82% 138786-67-1

文献：CIPLA LIMITED; WAIN, Christopher, Paul Patent: WO2006/64249 A2, 2006 ; Location in patent: Page/Page column 8; 10 ;

368890-20-4 124-41-4 ~69% 138786-67-1

文献：Dipharma S.p.A. Patent: EP1518857 A1, 2005 ; Location in patent: Page/Page column 5-6 ;

1310-73-2 102625-70-7 ~% 138786-67-1

文献：WO2008/45777 A2, ; Page/Page column 27-28 ;

上下游产品

上游产品  7
102625-70-7 102625-64-9 409098-86-8 97963-62-7
72830-09-2 368890-20-4 124-41-4
下游产品  1
102625-70-7

制备

泮托拉唑钠及其制备方法，泮托拉唑钠其特征在于化学通用名为（Ｓ）-5-二氟甲氧基-2-［（3，4－二甲氧基-2-吡啶基）甲基］亚硫酰基-1Ｈ-苯骈咪唑钠的固体形式，所述固体形式为无定形，其所含水分为0.1％-1.9％。其制备方法为：（ａ）将泮托拉唑与四氢呋喃混合搅拌，加入氢化钠反应，加入的氢化钠与泮托拉唑摩尔比为1:1，加入四氢呋喃的体积为泮托拉唑重量的2-50倍；（ｂ）在上步反应液中加入乙醚析出泮托拉钠，加入乙醚的量为四氢呋喃体积的１～１０倍；（ｃ）将上步所得的析晶液过滤，真空干燥得无定形的泮托拉唑钠，干燥温度为20-50℃。

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%