1-甲基-4-(6-氨基吡啶-3-基)哌嗪 | 571189-49-6

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-甲基-4-(6-氨基吡啶-3-基)哌嗪
• 中文别名: 5-(4-甲基哌嗪-1-基)吡啶-2-胺
• 英文名称: 5-(4-methyl-piperazin-1-yl)pyridin-2-ylamine
• 英文别名: 5-(4-methylpiperazin-1-yl)pyridin-2-amine；5-(4-methylpiperazin-1-yl)pyridine-2-amine；1-methyl-4-(6-aminopyridin-3-yl)piperazine；5-(4-methylpiperazin-1-yl)pyridine-2‑amine
• CAS: 571189-49-6
• 化学式: C₁₀H₁₆N₄
• mdl: MFCD10009563
• 分子量: 192.264
• InChiKey: QDMPMBFLXOWHRY-UHFFFAOYSA-N

物化性质

• 熔点：
  148 °C
• 沸点：
  368.1±42.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)
• 溶解度：
  乙腈（微溶）、氯仿（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存放于惰性气体中，避免接触空气。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Methyl-4-(6-aminopyridin-3-yl)piperazine
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: 1-Methyl-4-(6-aminopyridin-3-yl)piperazine
CAS number: 571189-49-6

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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.
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: C10H16N4
Molecular weight: 192.3

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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：

  1-甲基-4-(6-氨基吡啶-3-基)哌嗪 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  6π-Electrocyclization in water: microwave-assisted synthesis of polyheterocyclic-fused quinoline-2-thiones

  摘要：

  通过在水中不使用任何催化剂和添加剂，通过对醌啉-2-硫醚的多杂环融合合成进行辐射加热合成，实现了对醌啉-2-硫醚的多杂环融合合成。

  DOI：

  10.1039/c9gc04445k
• 作为产物：
  描述：

  5-溴-2-硝基吡啶 在 palladium 10% on activated carbon 、 四丁基溴化铵 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 1-甲基-4-(6-氨基吡啶-3-基)哌嗪
  参考文献：
  名称：

  设计，合成和评估新型5-苯基吡啶-2（1 H）-one衍生物作为强效可逆布鲁顿酪氨酸激酶抑制剂

  摘要：

  根据最近报告的临床前药物RN486的结构设计了一系列新型可逆性Btk抑制剂。描述了这些化合物的合成和SAR。在这些衍生物中，化合物16b被确定为有效的口服可逆剂，在体外具有令人满意的Btk酶和细胞抑制作用，在体内具有良好的PK特性和对关节炎的抑制作用。

  DOI：

  10.1016/j.bmc.2014.11.006

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS<br/>[FR] COMBINAISONS ET RÉGIMES POSOLOGIQUES POUR TRAITER DES TUMEURS RB-POSITIVES
  申请人：G1 THERAPEUTICS INC

  公开号：WO2016040858A1

  公开（公告）日：2016-03-17

  This invention directed to methods for treating select RB-positive cancers and other Rb- positive abnormal cellular proliferative disorders using CDK4/6 inhibitors in specific dosing and combination or alternation regimes. In one aspect, treatments of select RB-positive cancers are disclosed using specific CDK4/6 inhibitors in combination or alternation with another chemotherapeutic, for example, an additional kinase inhibitor, PD-1 inhibitor, or BCL-2 inhibitor, or combination thereof.

  这项发明涉及使用特定剂量和组合或交替方案中的CDK4/6抑制剂治疗选择性RB阳性癌症和其他RB阳性异常细胞增殖紊乱疾病的方法。在一个方面，揭示了使用特定CDK4/6抑制剂与另一种化疗药物（例如，额外的激酶抑制剂、PD-1抑制剂或BCL-2抑制剂，或其组合）组合或交替治疗选择性RB阳性癌症。
• IMIDAZO[1',2':1,6]PYRIDO[2,3-D]PYRIMIDINE COMPOUND AS PROTEIN KINASE INHIBITOR
  申请人：SHENGKE PHARMACEUTICALS (JIANGSU) LTD.

  公开号：US20200270251A1

  公开（公告）日：2020-08-27

  Provided is an imidazo[1′;2′:1,6]pyrido[2,3-d]pyrimidine compound of general formula (I). The compound can be used in treating a cell proliferative disorder and is a cyclin-dependent kinase (CDK) inhibitor with broad-spectrum and strong activity.

  提供的是一种通式为(I)的咪唑[1′;2′:1,6]吡啶[2,3-d]嘧啶化合物。该化合物可用于治疗细胞增殖紊乱，是一种具有广谱和强活性的周期蛋白依赖性激酶（CDK）抑制剂。
• COMPOUNDS AND METHODS FOR TREATING CANCER
  申请人：ANTIDOTE IP HOLDINGS, LLC

  公开号：US20200299282A1

  公开（公告）日：2020-09-24

  Substituted cinnamamide compounds and analogs, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or ameliorate cancer are provided.

  提供了替代肉桂酰胺化合物和类似物、制备这类化合物的方法、包含这类化合物的药物组合物和药物、以及使用这类化合物治疗、预防或改善癌症的方法。
• BTK INHIBITOR
  申请人：Hubei Bio-Pharmaceutical Industrial Technological Institute Inc.

  公开号：US20170313683A1

  公开（公告）日：2017-11-02

  Provided are a series of BTK inhibitors, and specifically disclosed are a compound, pharmaceutically acceptable salt thereof, tautomer thereof or prodrug thereof represented by formula (I), (II), (III) or (IV).

  提供了一系列的BTK抑制剂，特别公开了一种由公式(I)、(II)、(III)或(IV)表示的化合物、药用可接受的盐、互变异构体或前药。