pantoprazole sodium | 138786-67-1

• 物质功能分类: 原料药 - 消化系统用药 - 抗酸及胃黏膜保护药
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: pantoprazole sodium
• 英文别名: pantoprazole sodium salt；5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole sodium salt；sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-2H-1,3-benzodiazol-2-ide；sodium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-2-ide
• CAS: 138786-67-1
• 化学式: C₁₆H₁₄F₂N₃O₄S*Na
• 分子量: 405.357
• InChiKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N

物化性质

• 熔点：
  199-202°C
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、超声处理）、水（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.8
• 氢给体数：
  0
• 氢受体数：
  10

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R48,R41,R37/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  -20°C冷冻库

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Pantoprazole sodium
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Pantoprazole sodium
CAS number: 138786-67-1

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Section 4. 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.

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Section 5. 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.

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Section 6. 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.

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Section 7. 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:

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Section 8. 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.

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Section 9. 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

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Section 10. 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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. 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.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. 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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

理化性质

泮托拉唑钠是指5-二氟甲氧基-2-[(3,4-二甲氧基-2-吡啶基)甲基]亚磺酰基-1H-苯并咪唑钠盐，是一种H+,K+-ATP酶抑制剂。它能够有效抑制组胺、胃泌素和乙酰胆碱等多种因素引起的胃酸分泌，用于治疗与胃酸分泌失调相关的疾病，具有治愈率高、起效快、不良反应小等优点。

抗酸药及抗溃疡药

泮托拉唑钠又称潘托拉唑钠、诺森、潘美路、潘妥洛克，是一种抗消化性溃疡及制酸解痉药物。临床上主要用于治疗酸相关性疾病，如十二指肠溃疡、胃溃疡、反流性食管炎、急性胃黏膜病变复合性溃疡以及急性上消化道出血、卓-艾综合征、急性胰腺炎和应激性溃疡。

药理作用

本品通过特异性地作用于胃粘膜壁细胞，降低壁细胞中的H+—K+—ATP酶的活性，从而抑制胃酸分泌。与奥美拉唑相比，泮托拉唑钠对细胞色素P450酶的抑制作用较弱。

泮托拉唑钠、奥美拉唑和兰索拉唑都是胃壁细胞质子泵抑制剂，在中性和弱酸性条件下相对稳定，在强酸性条件下迅速活化。其pH依赖的活化特性使其对H+、K+-ATP酶的作用具有更好的选择性。

药代动力学

本品口服后吸收迅速且完全，单次口服40mg后2～3小时即可达到血药浓度峰值，其口服制剂的绝对生物利用度为77%。泮托拉唑钠的血浆蛋白结合率为98%，主要在肝脏代谢为去甲基泮托拉唑硫酸酯。半衰期约为1小时左右，去甲基泮托拉唑硫酸酯的半衰期则为1～5小时。80%的代谢产物通过肾脏排出，其余经胆汁进入粪便中。

药物相互作用

泮托拉唑钠与其它药物之间的相互作用较小，与奥美拉唑相比，对细胞色素P450系统的作用也较为轻微，不会影响安定的作用时间。此外，它也不明显干扰口服避孕药、地高辛、华法林、苯妥英钠或茶碱的效果。

不良反应与注意事项

不良反应偶见头晕、失眠、嗜睡、恶心、腹泻、便秘、皮疹和肌肉疼痛。大剂量使用时可能出现心律失常、氨基转移酶升高、肾功能改变及粒细胞减少。肝、肾功能不全者及儿童应慎用，孕妇禁用。

用途

泮托拉唑钠是用于抗酸药和治疗胃及十二指肠溃疡的药物。

反应信息

• 作为反应物：
  描述：

  pantoprazole sodium 在 sodium hydroxide 、 calcium chloride 作用下， 以 水 为溶剂， 反应 21.0h， 以89.9%的产率得到clcium {[5-(difluoromethoxy)]-2-[(3,4-dimethoxy-2-pyridinyl)methylsulphinyl]-1H-benzimidazolide} hydroxy
  参考文献：
  名称：

  [EN] ALKALINE SALTS OF PROTON PUMP INHIBITORS
  [FR] SELS ALCALINS D'INHIBITEURS DE LA POMPE A PROTONS

  摘要：

  本发明涉及质子泵抑制剂的碱性盐以及包含这些化合物的药物。

  公开号：

  WO2005011692A1
• 作为产物：
  描述：

  泮托拉唑 在 sodium hydroxide 作用下， 以 水 、 4-甲基-2-戊酮 、 异丙醇 为溶剂， 以90%的产率得到pantoprazole sodium
  参考文献：
  名称：

  [EN] SALT OF (S)-PANTOPRAZOLE AND ITS HYDRATES
  [FR] SEL DE (S)-PANTOPRAZOLE ET SES HYDRATES

  摘要：

  本发明涉及(-)-泮托拉唑镁及其水合物，以及包含这些化合物的药物。

  公开号：

  WO2004013126A1

文献信息

• [EN] BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS<br/>[FR] COMPOSÉS BENZAMIDE OU BENZAMINE À UTILISER EN TANT QU'ANTICANCÉREUX POUR LE TRAITEMENT DE CANCERS HUMAINS
  申请人：UNIV TEXAS

  公开号：WO2017007634A1

  公开（公告）日：2017-01-12

  The described invention provides small molecule anti-cancer compounds for treating tumors that respond to cholesterol biosynthesis inhibition. The compounds selectively inhibit the cholesterol biosynthetic pathway in tumor-derived cancer cells, but do not affect normally dividing cells.

  所描述的发明提供了用于治疗对胆固醇生物合成抑制作出反应的肿瘤的小分子抗癌化合物。这些化合物选择性地抑制肿瘤来源的癌细胞中的胆固醇生物合成途径，但不影响正常分裂的细胞。
• [EN] CATHEPSIN CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉASES À CYSTÉINE DE TYPE CATHEPSINES
  申请人：MERCK SHARP & DOHME

  公开号：WO2015054038A1

  公开（公告）日：2015-04-16

  This invention relates to a novel class of compounds which are cysteine protease inhibitors, including but not limited to, inhibitors of cathepsins K, L, S and B. These compounds are useful for treating diseases in which inhibition of bone resorption is indicated, such as osteoporosis.

  这项发明涉及一类新型化合物，它们是半胱氨酸蛋白酶抑制剂，包括但不限于对卡特普辛K、L、S和B的抑制剂。这些化合物可用于治疗需要抑制骨吸收的疾病，如骨质疏松症。
• [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DE CALPAÏNE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：BLADE THERAPEUTICS INC

  公开号：WO2019190885A1

  公开（公告）日：2019-10-03

  Small molecule calpain modulator compounds, including their pharmaceutically acceptable salts, can be included in pharmaceutical compositions. The compounds can be useful in inhibiting calpain, or competitive binding with calpastatin, by contacting them with CAPN1, CAPN2, and/or CAPN9 enzymes residing inside a subject. The compounds and composition can also be administered to a subject in order to treat a fibrotic disease or a secondary disease state or condition of a fibrotic disease.

  小分子钙蛋白酶调节剂化合物，包括其药用可接受的盐，可以包含在药物组合物中。这些化合物可以通过与主体内的CAPN1、CAPN2和/或CAPN9酶接触来抑制钙蛋白酶，或与钙蛋白酶抑制剂竞争性结合。这些化合物和组合物也可以被用于治疗纤维化疾病或纤维化疾病的继发疾病状态或病情。
• [EN] COMPOUNDS AND THEIR USE AS BACE INHIBITORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE BACE
  申请人：ASTRAZENECA AB

  公开号：WO2016055858A1

  公开（公告）日：2016-04-14

  The present application relates to compounds of formula (I), (la), or (lb) and their pharmaceutical compositions/preparations. This application further relates to methods of treating or preventing Αβ-related pathologies such as Down's syndrome, β- amyloid angiopathy such as but not limited to cerebral amyloid angiopathy or hereditary cerebral hemorrhage, disorders associated with cognitive impairment such as but not limited to MCI ("mild cognitive impairment"), Alzheimer's disease, memory loss, attention deficit symptoms associated with Alzheimer's disease, neurodegeneration associated with diseases such as Alzheimer's disease or dementia, including dementia of mixed vascular and degenerative origin, pre-senile dementia, senile dementia and dementia associated with Parkinson's disease.

  本申请涉及式(I)、(Ia)或(Ib)的化合物及其药物组合物/制剂。本申请进一步涉及治疗或预防与Αβ相关的病理学，如唐氏综合症，β-淀粉样蛋白血管病，如但不限于脑淀粉样蛋白血管病或遗传性脑出血，与认知损害相关的疾病，如但不限于MCI（“轻度认知损害”），阿尔茨海默病，记忆丧失，与阿尔茨海默病相关的注意力缺陷症状，与疾病如阿尔茨海默病或痴呆症相关的神经退行性疾病，包括混合性血管性和退行性起源的痴呆，早老性痴呆，老年性痴呆和与帕金森病相关的痴呆的方法。
• [EN] SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES SPIROCYCLIQUES UTILES COMME INHIBITEURS DU VIH
  申请人：MERCK SHARP & DOHME

  公开号：WO2016094198A1

  公开（公告）日：2016-06-16

  The present invention relates to Spirocyclic Heterocycle Compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A, B, X, R1, R2, R3 and R4 are as defined herein. The present invention also relates to compositions comprising at least one Spirocyclic Heterocycle Compound, and methods of using the Spirocyclic Heterocycle Compounds for treating or preventing HIV infection in a subject.

  本发明涉及式(I)的螺环杂环化合物及其药学上可接受的盐，其中A、B、X、R1、R2、R3和R4如本文所定义。本发明还涉及包含至少一种螺环杂环化合物的组合物，以及使用螺环杂环化合物治疗或预防受试者的HIV感染的方法。