苯氟雷司 | 23602-78-0

• 物质功能分类: 分析化学 - 标准品 - 色谱标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯氟雷司
• 中文别名: N-(1-甲基-2-(3-[三氟甲基]-苯基)乙基]氨基乙醇苯甲酸酯
• 英文名称: benfluorex
• 英文别名: (±)-benfluorex；1-(3-trifluoromethylphenyl)-2-(-2-benzoyloxyethylamino)propane；2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate
• CAS: 23602-78-0
• 化学式: C₁₉H₂₀F₃NO₂
• 分子量: 351.369
• InChiKey: CJAVTWRYCDNHSM-UHFFFAOYSA-N

物化性质

• 沸点：
  420.5±45.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)
• 保留指数：
  2160

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• WGK Germany：
  2
• 海关编码：
  2922199090

SDS

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Section 1. Chemical Product and Company Identification
Benfluorex Hydrochloride
Common Name/
Trade Name
Benfluorex Hydrochloride

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Section 3. Hazards Identification
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation.
Potential Acute Health
Effects
CARCINOGENIC EFFECTS: Not available.
Potential Chronic Health
MUTAGENIC EFFECTS: Not available.
Effects
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure is not known to aggravate medical condition.

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Section 4. First Aid Measures
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
Eye Contact
15 minutes. Get medical attention if irritation occurs.
Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Skin Contact
Serious Skin Contact Not available.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
Ingestion
unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if symptoms
appear.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Not available.
Flash Points
Not available.
Flammable Limits
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), halogenated compounds.
Products of Combustion
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards in
Risks of explosion of the product in presence of static discharge: Not available.
Presence of Various
Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
and Instructions
Not available.
Special Remarks on
Fire Hazards
Not available.
Special Remarks on
Explosion Hazards
Benfluorex Hydrochloride

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Section 6. Accidental Release Measures
Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
Small Spill
water on the contaminated surface and dispose of according to local and regional authority requirements.
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
Large Spill
the contaminated surface and allow to evacuate through the sanitary system.

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Section 7. Handling and Storage
Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
Precautions
ingest. Do not breathe dust. If ingested, seek medical advice immediately and show the container or the label.
Keep container tightly closed. Keep container in a cool, well-ventilated area.
Storage

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Section 8. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
Engineering Controls
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection
Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
of a Large Spill
handling this product.
Not available.
Exposure Limits

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Section 9. Physical and Chemical Properties
Solid. Not available.
Physical state and O dor
appearance
Not available.
Taste
387.84 g/mole
Molecular Weight
Not available.
Color
Not available.
pH (1% soln/water)
Not available.
Boiling Point
Not available.
Melting Point
Not available.
Critical Temperature
Not available.
Specific Gravity
Not applicable.
Vapor Pressure
Not available.
Vapor Density
Not available.
Volatility
Not available.
Odor Threshold
Not available.
Water/Oil Dist. Coeff.
Not available.
Ionicity (in Water)
Not available.
Dispersion Properties
Not available.
Solubility
Benfluorex Hydrochloride

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Section 10. Stability and Reactivity Data
The product is stable.
Stability
Not available.
Instability Temperature
Conditions of Instability Excess heat
Incompatibility with various Not available.
substances
Not available.
Corrosivity
Not available.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
Will not occur.
Polymerization

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Section 11. Toxicological Information
Inhalation. Ingestion.
Routes of Entry
Acute oral toxicity (LD50): 2300 mg/kg [Mouse].
Toxicity to Animals
Chronic Effects on Humans Not available.
Other Toxic Effects on Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans
Not available.
Special Remarks on
Toxicity to Animals
Not available.
Special Remarks on
Chronic Effects on Humans
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: May cause skin irritation.
Eyes: May cause eye irritation.
Inhalation: Dust may cause respiratory tract irritation.
Ingestion: Low hazard.

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Section 12. Ecological Information
Not available.
Ecotoxicity
Not available.
BOD5 and COD
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
The products of degradation are more toxic than the product itself.
Toxicity of the Products
of Biodegradation
Not available.
Special Remarks on the
Products of Biodegradation
Benfluorex Hydrochloride

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Section 13. Disposal Considerations
Waste must be disposed of in accordance with federal, state and local environmental control
Waste Disposal
regulations.

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Section 14. Transport Information
Not a DOT controlled material (United States).
DO T Cl assi fi cati on
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
DO T (Pi ctograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California prop. 65: This product contains the following ingredients for which the State of California has found to
California
cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found to
cause birth defects which would require a warning under the statute: No products were found.
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.
245-777-9).
Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non-Domestic Substances List (NDSL)
China: Not listed on National Inventory.
Japan: Not listed on National Inventory (ENCS).
Korea: Not listed on National Inventory (KECI).
Philippines: Not listed on National Inventory (PICCS).
Australia: Listed on AICS.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
This product is not classified according Not applicable.
DSCL (EEC)
to the EU regulations.
Health Hazard
HMIS (U.S.A.) 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity 0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
Benfluorex Hydrochloride
TDG(Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or equivalent.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

苯氟雷司的商品名是Mediator，它属于一种与氟苯丙胺结构相似的食欲抑制剂及降脂药。对于血糖控制不佳的2型糖尿病患者，苯氟雷司能够改善血糖水平并降低胰岛素抵抗。

反应信息

• 作为反应物：
  描述：

  苯氟雷司 在 四羟基二硼 、 [Rh(OH)(cod)]2 作用下， 以 乙醇 为溶剂， 以82 %的产率得到
  参考文献：
  名称：

  药物分子的后期饱和

  摘要：

  可用的化学合成方法可以说促进了现代药物中芳香环的流行，例如苯、甲苯、二甲苯或吡啶。现在，许多此类富含 sp 2碳的片段很容易使用高质量的交叉偶联反应来合成，这些反应将不断扩大的市售构建模块菜单组合在一起，但产品是扁平的和亲脂性的，降低了它们上市的几率药物。将扁平芳香族分子转化为具有更高比例 sp 3碳的饱和类似物可以改善其药用特性，并有助于安全、有效、代谢稳定和可溶性药物的发明。在这项研究中，我们证明芳香族和杂芳香族药物在极其温和的铑催化氢化、酸介导还原或光催化氢化条件下可以很容易地饱和，将 sp 2碳原子转化为 sp 3碳原子并产生饱和分子改善药用特性。这些方法在不同的化学空间中非常有效，可以生产出具有各种官能团和三维结构的复杂饱和药物。铑催化方法可耐受痕量二甲亚砜 (DMSO) 或水，这意味着通常储存在湿 DMSO 中的药物化合物集合最终可以重新格式化，用作化学合成的底物。后一种应用通过

  DOI：

  10.1021/jacs.4c00807
• 作为产物：
  描述：

  去甲氟苯丙胺 生成 苯氟雷司
  参考文献：
  名称：

  FR1517587

  摘要：

  公开号：

文献信息

• Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same
  申请人：Liu Haiyan

  公开号：US20110009628A1

  公开（公告）日：2011-01-13

  The present technology relates to compounds of Formulas I-VI and methods of making and using such compounds. Methods of use include prevention and treatment of hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, hepatic steatosis, and metabolic syndrome. Compounds disclosed herein also increase HDL-C, lower total cholesterol, LDL-cholesterol, and triglycerides and increase hepatic LDL receptor expression, inhibit PCSK9 expression, and activate AMP-activated protein kinase.

  目前的技术涉及到公式I-VI的化合物以及制备和使用这些化合物的方法。使用方法包括预防和治疗高脂血症、高胆固醇血症、高甘油三酯血症、肝脂肪变性和代谢综合征。本文披露的化合物还可以增加高密度脂蛋白胆固醇（HDL-C），降低总胆固醇、低密度脂蛋白胆固醇（LDL-C）和甘油三酯，并增加肝LDL受体表达，抑制PCSK9表达，并激活AMP激活蛋白激酶。
• [EN] SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSES DE PYRAZINONE SUBSTITUES POUR LE TRAITEMENT DE L'INFLAMMATION
  申请人：PHARMACIA CORP

  公开号：WO2005035527A1

  公开（公告）日：2005-04-21

  Kinase inhibitors of Formula (I): wherein X, Ra, Rb, Rc, and Rd are as defined herein, are disclosed.

  Formula (I)的激酶抑制剂：其中X、Ra、Rb、Rc和Rd如本文所定义的那样。
• Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones
  申请人：Armour R. Duncan

  公开号：US20080085884A1

  公开（公告）日：2008-04-10

  The present invention provides for MCHR1 antagonist compounds of formula (I) and the pharmaceutically acceptable salts, solvates and prodrugs thereof, wherein the substituents are as defined herein, and the pharmaceutically acceptable salts, solvates and prodrugs thereof, which are useful in treating diseases or conditions wherein antagonism of the MCHR1 receptor is beneficial.

  本发明提供了式（I）的MCHR1拮抗剂化合物及其药用盐、溶剂合物和前药，其中取代基如本文所定义，并且其药用盐、溶剂合物和前药，可用于治疗对MCHR1受体拮抗有益的疾病或症状。
• [EN] PRODRUGS OF SECONDARY AMINE COMPOUNDS<br/>[FR] PROMÉDICAMENTS DE COMPOSÉS AMINE SECONDAIRES
  申请人：ALKERMES PHARMA IRELAND LTD

  公开号：WO2013088255A1

  公开（公告）日：2013-06-20

  The present invention relates to compounds of Formula (I).

  本发明涉及式(I)的化合物。
• [EN] FIBRIN-BINDING COMPOUNDS FOR IMAGING AND TREATMENT<br/>[FR] COMPOSÉS DE LIAISON À LA FIBRINE POUR IMAGERIE ET TRAITEMENT
  申请人：COLLAGEN MEDICAL LLC

  公开号：WO2021081430A1

  公开（公告）日：2021-04-29

  This disclosure relates to compounds of Formula IV: for fibrin imaging, wherein the compounds comprise an imaging or therapeutic radioisotope.

  这项披露涉及到公式IV的化合物：用于纤维蛋白成像，其中化合物包含成像或治疗放射性同位素。

表征谱图