151767-02-1

• 常用中文名：孟鲁司特钠
• 常用英文名：Montelukast sodium
• CAS号：151767-02-1
• 分子式：C₃₅H₃₅ClNNaO₃S
• 分子量：608.165
• 相关类别： 原料药 呼吸系统用药 平喘药
• 发布时间：2018-06-12 10:23:25
• 更新时间：2024-01-01 17:21:12
• Montelukast sodium是有效,选择性的白三烯受体受体拮抗剂。

名称

• 中文名: 孟鲁司特钠
• 英文名: Montelukast sodium
• 中文别名: [R-(E)]-1-[[[1-[3-[2-(7-氯-2-喹啉)乙烯基]苯基-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸钠; 孟钠; 孟鲁司特钠对照品
• 英文别名: Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, sodium salt (1:1); Montelukast SodiuM Hydrate; Montelukast sodium; {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinoléin-2-yl)éthényl]phényl}-3-[2-(1-hydroxy-1-méthyléthyl)phényl]propyl}sulfanyl)méthyl]cyclopropyl}acétate de sodium; cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, monosodium salt; Sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)vinyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate; Natrium-{1-[({(1R)-1-{3-[(E)-2-(7-chlorchinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetat; [R-(E)]-1-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic Acid Monosodium Salt; sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate; sodium,2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate; Montelukast sodium salt; Sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloro-2-quinolinyl)vinyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate; Sodium 1-((((R)-m-((E)-2-(7-Chloro-2-quinolyl)vinyl)-a-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate; Montelukast monosodium salt; sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate; Singulair; Montelukast (sodium)

物化性质

• 沸点: 750.5ºC at 760mmHg
• 熔点: 115 °C(dec.)
• 分子式: C₃₅H₃₅ClNNaO₃S
• 分子量: 608.165
• 闪点: 407.7ºC
• 精确质量: 607.192383
• PSA: 98.55000
• LogP: 7.61330
• 外观性状: white to tan
• 储存条件: -20°C Freezer, Under Inert Atmosphere
• 水溶解性: DMSO: ≥8mg/mL at 60°C

生物活性

• 描述: Montelukast sodium是有效,选择性的白三烯受体受体拮抗剂。
• 相关类别:
  信号通路 >> 自噬 >> 自噬
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 白三烯受体
  研究领域 >> 炎症/免疫
• 靶点:

  CysLT1

  Autophagy

• 体外研究: 孟鲁司特可能有助于减少上气道炎症性疾病(如鼻炎和鼻息肉)中的嗜酸性粒细胞炎症。孟鲁司特对鼻粘膜和息肉上皮细胞中的FBS诱导的GM-CSF,IL-6和IL-8分泌具有显着的抑制作用,但对sICAM-1没有显着的抑制作用。孟鲁司特还显示出对鼻腔粘膜和息肉上皮细胞中ECM诱导的嗜酸性粒细胞存活的抑制作用(p <0.05)[1]。
• 体内研究: 孟鲁司特显着降低慢性轻度至中度哮喘的轻度,中度和部分严重恶化,但其对ICS或ICS加LABA的疗效较差[2]。诱发哮喘大鼠的气道NK1R表达上调,孟鲁司特可下调气道重塑过程中NK1R的表达[3]。用孟鲁司特(1或2 mg/kg,ig,4周)重复治疗阻断CysLT1R可降低Aβ1-42诱导的CysLT1R表达,并抑制Aβ1-42诱导的NF-κBp65,TNF-α,IL-的增加1β和caspase-3激活,Bcl-2在海马和皮质中下调。相应地,孟鲁司特治疗显着改善Aβ1-42诱导的小鼠记忆障碍,但对正常小鼠几乎没有影响[4]。
• 细胞实验: 用含有或不含有MK的胎牛血清（FBS）刺激鼻粘膜和息肉上皮细胞24小时，并通过ELISA测量上皮分泌物中的细胞因子浓度。将外周血嗜酸性粒细胞与含有或不含孟鲁司特的上皮细胞条件培养基（ECM）孵育长达3天后，通过台盼蓝染料排除法评估嗜酸性粒细胞的存活[1]。
• 动物实验: 大鼠：将24只Sprague Dawley大鼠随机分为对照组，哮喘组和孟鲁司特组。通过卵清蛋白（OVA）吸入诱导大鼠哮喘模型。在对照组中使用生理盐水代替敏化溶液和1％OVA。孟鲁司特组中的每只大鼠在OVA吸入前2小时通过管饲给予孟鲁司特（15mg / kg）。所有大鼠均治疗8周[3]。小鼠：将孟鲁司特溶解在0.5％羧甲基纤维素钠（CMC-Na）中。小鼠随机分为4组：（1）载体加载体，（2）Aβ1-42加载体，（3）Aβ1-42加孟鲁司特（1.0mg / kg），（4）Aβ1-42加孟鲁司特（2.0mg） /公斤）。通过微量移液管将溶液双侧注入脑室[4]。
• 参考文献:

  [1]. Mullol J, et al. Montelukast?reduces eosinophilic inflammation by inhibiting both epithelial cell cytokine secretion (GM-CSF, IL-6, IL-8) and eosinophil survival. J Biol Regul Homeost Agents.?2010 Oct-Dec;24(4):403-11.

  [2]. Zhang HP, et al. Montelukast for prevention and treatment of asthma exacerbations in adults: Systematic review and meta-analysis. Allergy Asthma Proc. 2014 Jul-Aug;35(4):278-87.

  [3]. Wei B, et al. Effect of montelukast on the expression of neurokinin-1 receptor in young asthmatic rats with airway remodeling. Zhongguo Dang Dai Er Ke Za Zhi. 2013 Apr;15(4):298-301.

  [4]. Lai J, et al. Montelukast targeting the cysteinyl leukotriene receptor 1 ameliorates Aβ1-42-induced memory impairment and neuroinflammatory and apoptotic responses in mice. Neuropharmacology. 2014 Apr;79:707-14.

MSDS

Montelukast Sodium Hydrate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Montelukast Sodium Hydrate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Montelukast Sodium Hydrate Percent:>98.0%(LC)(T) CAS Number:151767-02-1 Chemical Formula:C35H35ClNNaO3S·xH2O Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Montelukast Sodium Hydrate Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Protect from moisture. Store away from incompatible materials such as oxidizing agents. Light-sensitive, Hygroscopic Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: Colour:White - Almost white No data available Odour: pH: 9.7 (1% aq soln.) Melting point/freezing point:115°C (dec.) Boiling point/range:No data available No data available Flash point: Flammability or explosive limits: Lower:No data available No data available Upper: Relative density:No data available Solubility(ies): [Water]Very soluble Montelukast Sodium Hydrate Section9. PHYSICAL AND CHEMICAL PROPERTIES [Other solvents] Very soluble:Methanol, Ethanol Insoluble:Acetonitrile Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides, Hydrogen chloride products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:ipr-mus TDLo:1 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available RTECS Number:GZ0698000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Montelukast Sodium Hydrate SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS05, GHS08
• 信号词: Danger
• 危害声明: H318-H361fd
• 警示性声明: P280-P305 + P351 + P338 + P310
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 63-41-62
• 安全声明 (欧洲): 26
• 危险品运输编码: NONH for all modes of transport
• RTECS号: GZ0698000
• 海关编码: 2933499090

合成路线

上下游产品

上游产品  6
1312993-47-7 577953-88-9 1100021-00-8 158966-92-8
1100021-03-1 1254938-23-2
下游产品  4
158966-92-8 1178966-47-6 1187586-61-3 1187586-58-8

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%