3-(4-甲基哌啶 -1-基)丙烷-1-胺 | 6241-30-1

• 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: 3-(4-甲基哌啶 -1-基)丙烷-1-胺
• 中文别名: 3-(4-甲基哌啶-1-基)丙烷-1-胺
• 英文名称: 3-(4-methylpiperidin-1-yl)propan-1-amine
• 英文别名: 4-methyl-1-piperidinepropanamine；3-(4-methyl-piperidin-1-yl)-propylamine；3-(4-methyl-piperidino)-propylamine；3-(4-Methyl-piperidino)-propylamin；1-(3-aminopropyl)-4-methylpiperidine；3-<4-Methyl-piperidino>-propylamin
• CAS: 6241-30-1
• 化学式: C₉H₂₀N₂
• mdl: MFCD00129008
• 分子量: 156.271
• InChiKey: KJZUUHBRCBCMNK-UHFFFAOYSA-N

物化性质

• 沸点：
  90-92 °C(Press: 18 Torr)
• 密度：
  0.891±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：
  Xi
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(4-Methylpiperidin-1-yl)propan-1-amine
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: 3-(4-Methylpiperidin-1-yl)propan-1-amine
CAS number: 6241-30-1

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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: C9H20N2
Molecular weight: 156.3

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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：

  3-(4-甲基哌啶 -1-基)丙烷-1-胺 在 镍 氨 、 氢气 、 sodium methylate 作用下， 以 甲醇 、 三乙胺 、 苯 为溶剂， 生成 1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 1,3-diaminopropanes: a new class of polyamine analogs as leishmanicidal agents

  摘要：

  Analogs of I,S-diaminopropane as inhibitors for the growth of Leishmania donovani have been synthesized and evaluated,for their antileishmanial activity. Of the many active compounds, 1-(3-N,N-bis methoxycarbonyl guanidino)propyl-4-methylpiperidine piperazine (4e,f) exhibited significant in vivo inhibitory efficacy against L. donovani by oral and intraperitoneal route of administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00087-5
• 作为产物：
  描述：

  3-(4-methyl-piperidino)-propionitrile 在 乙醇 、 sodium 作用下， 生成 3-(4-甲基哌啶 -1-基)丙烷-1-胺
  参考文献：
  名称：

  2-甲氧基-6-氯-9-（N-取代的氨基）-啶; 衍生自环状仲胺的化合物。

  摘要：

  DOI：

  10.1021/ja01214a012

文献信息

• [EN] INDOLE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE D'INDOLE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2019021059A1

  公开（公告）日：2019-01-31

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non- therapeutic purposes.

  本公开提供了一种公式(I)的化合物：或其药用可接受的盐，及其用于激活生长因子途径、促进伤口愈合、促进组织修复以及治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经退行性和肌肉萎缩的治疗用途。本公开还提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• [EN] THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSÉS TRICYCLIQUES À BASE DE THIOPÈNE ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT LESDITS COMPOSÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003084959A1

  公开（公告）日：2003-10-16

  Compounds having the formula (I), and pharmaceutically-acceptable salts, hydrates and prodrugs thereof, are useful as anti-inflammatory agents, in which R1, R2, and R3 are hydrogen, halogen, alkyl, or perfluoroalkyl; R4 is an optionally substituted alkyl or cycloalkyl group; X is a linker; A is an aryl, heteroaryl, heterocycle, cycloalkyl, or is absent; and R7 is a substituent on A as defined in the specification.

  具有公式(I)的化合物，以及其中所述化合物的药物可接受的盐、水合物和前药，作为抗炎剂是有用的，其中R1、R2和R3是氢、卤素、烷基或全氟烷基；R4是可选地取代的烷基或环烷基团；X是连接基；A是芳基、杂芳基、杂环、环烷基，或是缺失的；R7是如说明书中定义的A上的取代基。
• [EN] BENZODIAZEPINONES AS FAK INHIBITORS FOR TREATMENT OF CANCER<br/>[FR] BENZODIAZÉPINONES À TITRE D'INHIBITEURS DE FAK POUR LE TRAITEMENT DU CANCER
  申请人：ABBOTT LAB

  公开号：WO2012045194A1

  公开（公告）日：2012-04-12

  Disclosed are compounds which inhibit the activity of focal adhesion kinase, compositions containing the compounds, and methods of treating diseases during which focal adhesion kinase is expressed.

  揭示了抑制细胞焦点粘附激酶活性的化合物，包含这些化合物的组合物，以及治疗焦点粘附激酶表达相关疾病的方法。
• Solution-phase Synthesis of a Combinatorial Library of 3-[4-(Coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid Amides
  作者：I. Zhuravel、S. Kovalenko、S. Vlasov、V. Chernykh

  DOI：10.3390/10020444

  日期：——

  The parallel solution-phase synthesis of a new combinatorial library of 3-[4-(R1-coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acid amides 9 has been developed. The synthesis involves two steps: 1) the synthesis of core building blocks - 3- [4-(coumarin-3-yl)-1,3-thiazol-2-ylcarbamoyl]propanoic acids, 6 - by the reaction of 3-(omega-bromacetyl)coumarins 1 with 3-amino(thioxo)methylcarbamoylpropanoic

  开发了 3-[4-(R1-香豆素-3-基)-1,3-噻唑-2-基氨基甲酰基]丙酰胺 9 的新组合库的平行溶液相合成。合成涉及两个步骤：1) 通过 3-(欧米茄-溴乙酰基）香豆素 1 与 3-氨基（硫代）甲基氨基甲酰基丙酸（5）；2)使用1,1'-羰基二咪唑作为偶联剂合成相应的3-[4-(香豆素-3-基)-1,3-噻唑-2-基-氨基甲酰基]丙酰胺9。讨论了该方法与现有方法相比的优点。
• Thienopyridinone compounds and methods of treatment
  申请人：Dhanoa S. Dale

  公开号：US20050256153A1

  公开（公告）日：2005-11-17

  The invention relates to 5-HT receptor agonists and partial agonists. Novel thienopyridinone compounds represented by Formula I, and synthesis and uses thereof for treating diseases mediated directly or indirectly by 5-HT receptors, are disclosed. Such conditions include Alzheimer's disease, cognition disorders, irritable bowel syndrome, nausea, emesis, vomiting, prokinesia, gastroesophageal reflux disease, nonulcer dyspepsia, depression, anxiety, urinary incontinence, migraine, arrhythmia, atrial fibrillation, ischemic stroke, gastritis, gastric emptying disorders, feeding disorders, gastrointestinal disorders, constipation, erectile dysfunction, and respiratory depression. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also included.

  该发明涉及5-HT受体激动剂和部分激动剂。公开了由式I表示的新型噻吩吡啶酮化合物，以及其合成和用于治疗由5-HT受体直接或间接介导的疾病。这些疾病包括阿尔茨海默病、认知障碍、肠易激综合征、恶心、呕吐、促动力、胃食管反流病、非溃疡性消化不良、抑郁症、焦虑症、尿失禁、偏头痛、心律失常、心房颤动、缺血性中风、胃炎、胃排空障碍、进食障碍、消化道疾病、便秘、勃起功能障碍和呼吸抑制。还包括其制备方法、新颖中间体和药用盐。