(4-哌啶基苯基)甲胺 | 214759-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (4-哌啶基苯基)甲胺
• 中文别名: (4-哌啶苯基)甲胺
• 英文名称: (4-(piperidin-1-yl)phenyl)methanamine
• 英文别名: (4-Piperidinophenyl)methylamine；(4-piperidin-1-ylphenyl)methanamine
• CAS: 214759-73-6
• 化学式: C₁₂H₁₈N₂
• mdl: MFCD06659080
• 分子量: 190.288
• InChiKey: WROBJEHXMLQDQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  C
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Piperidinobenzylamine
Synonyms: [4-(Piperidin-1-yl)phenyl]methanamine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H318: Causes serious eye damage
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Piperidinobenzylamine
CAS number: 214759-73-6

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C12H18N2
Molecular weight: 190.3

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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.

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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

反应信息

• 作为反应物：
  描述：

  (4-哌啶基苯基)甲胺 在 COMU 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-(piperidin-1-yl)benzyl)-3-(piperidin-4-yl)propanamide
  参考文献：
  名称：

  一种片段合并方法，用于开发结核分枝杆菌 EthR 小分子抑制剂，用作乙硫异烟胺增强剂†

  摘要：

  随着对一线结核病药物耐药性的不断增加，需要制定新的战略来对抗全球结核病流行。通过抑制分枝杆菌转录抑制蛋白 EthR 来增强现有二线抗生素乙硫异烟胺的作用是一种有吸引力的治疗策略。在这里，我们报告了使用基于片段的药物发现方法来进行结构引导的两个片段分子的系统合并，每个片段分子与结核分枝杆菌的 EthR 疏水腔结合两次。这些一起填满了 EthR 的整个绑定口袋。我们详细阐述了这些片段命中并开发了小分子抑制剂，其在体外的效力比初始片段提高了 100 倍。

  DOI：

  10.1039/c5ob02630j
• 作为产物：
  描述：

  哌啶 在 potassium carbonate 、 红铝 作用下， 以 四氢呋喃 、 二甲基亚砜 、 甲苯 为溶剂， 反应 10.0h， 生成 (4-哌啶基苯基)甲胺
  参考文献：
  名称：

  一种片段合并方法，用于开发结核分枝杆菌 EthR 小分子抑制剂，用作乙硫异烟胺增强剂†

  摘要：

  随着对一线结核病药物耐药性的不断增加，需要制定新的战略来对抗全球结核病流行。通过抑制分枝杆菌转录抑制蛋白 EthR 来增强现有二线抗生素乙硫异烟胺的作用是一种有吸引力的治疗策略。在这里，我们报告了使用基于片段的药物发现方法来进行结构引导的两个片段分子的系统合并，每个片段分子与结核分枝杆菌的 EthR 疏水腔结合两次。这些一起填满了 EthR 的整个绑定口袋。我们详细阐述了这些片段命中并开发了小分子抑制剂，其在体外的效力比初始片段提高了 100 倍。

  DOI：

  10.1039/c5ob02630j

文献信息

• SUBSTITUTED SULFONAMIDE COMPOUNDS
  申请人：OBERBOERSCH Stefan

  公开号：US20080153843A1

  公开（公告）日：2008-06-26

  Substituted sulfonamide derivatives, a process for their preparation, pharmaceutical compositions containing these compounds, and to the use of substituted sulfonamide derivatives in the treatment or inhibition of pain and/or various disorders or disease states.

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。
• Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor
  申请人：——

  公开号：US20040157849A1

  公开（公告）日：2004-08-12

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式（I）的化合物是新颖的VR1拮抗剂，可用于治疗疼痛、炎症性热性过敏、尿失禁和膀胱过度活动。
• Antitubercular and Antiparasitic 2-Nitroimidazopyrazinones with Improved Potency and Solubility
  作者：Chee Wei Ang、Lendl Tan、Melissa L. Sykes、Neda AbuGharbiyeh、Anjan Debnath、Janet C. Reid、Nicholas P. West、Vicky M. Avery、Matthew A. Cooper、Mark A. T. Blaskovich

  DOI：10.1021/acs.jmedchem.0c01372

  日期：2020.12.24

  additional efforts to generate analogs with improved solubility and enhanced potency. The key pendant aryl substituent was modified by (i) introducing polar functionality to the methylene linker, (ii) replacing the terminal phenyl group with less lipophilic heterocycles, or (iii) generating extended biaryl side chains. Improved antitubercular and antitrypanosomal activity was observed with the biaryl side

  在批准德拉曼尼德和苯曼尼曼尼德作为治疗抗药性结核病的新药之后，现在人们对双环硝基咪唑支架作为抵抗传染病的一种治疗方法有了新的兴趣。我们最近描述了具有有希望的抗结核和抗寄生虫活性的硝基咪唑并吡嗪酮双环亚类，促使人们付出更多的努力来产生具有改善的溶解度和增强的效力的类似物。通过（i）将极性官能团引入亚甲基接头，（ii）用较少的亲脂性杂环取代末端苯基，或（iii）产生延伸的联芳基侧链，对关键的侧基芳基取代基进行修饰。联芳基侧链具有更好的抗结核和抗胰体活性，大部分类似物的活性比单芳基母体化合物高2至175倍，并引入吡啶基时，其溶解度得到了令人鼓舞的改善。这项研究有助于理解硝基咪唑并吡嗪酮支架与一组致病生物的现有结构-活性关系（SAR），以支持未来的铅优化。
• Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments
  申请人：——

  公开号：US20020032238A1

  公开（公告）日：2002-03-14

  The present invention relates to substituted piperazine derivatives of general formula 1 wherein R 1 to R 7 are defined herein, the isomers and salts thereof, particularly the physiologically acceptable salts thereof, which are valuable inhibitors of the microsomal triglyceride-transfer protein (MTP), medicaments containing these compounds and their use, as well as the preparation thereof.

  本发明涉及一般式1的取代哌嗪衍生物，其中R1至R7在此处定义，其异构体和盐，特别是其生理上可接受的盐，这些盐是微粒体三酰甘油转移蛋白（MTP）的有价值的抑制剂，含有这些化合物的药物以及它们的用途，以及其制备。
• Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20030162788A1

  公开（公告）日：2003-08-28

  The invention relates to the use of fibrates for lowering the liver toxicity of MTP inhibitors as well as pharmaceutical compositions containing an MTP inhibitor and a fibrate.

  本发明涉及使用纤维酸衍生物来降低MTP抑制剂对肝脏的毒性，以及包含MTP抑制剂和纤维酸衍生物的药物组合物。