2-氯-5-氨甲基吡啶 | 120739-84-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氯-5-氨甲基吡啶
• 中文别名: 2-氯-5-甲氨基吡啶
• 英文名称: 6-chloro-N-methylpyridin-3-amine
• CAS: 120739-84-6
• 化学式: C₆H₇ClN₂
• mdl: MFCD10697831
• 分子量: 142.588
• InChiKey: LFRYVKXHKZPNED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2-8°C，避光保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Chloro-N-methyl-3-pyridinamine
Synonyms: 2-Chloro-5-(N-methylamino)pyridine

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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: 6-Chloro-N-methyl-3-pyridinamine
CAS number: 120739-84-6

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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.
Storage: Store in closed vessels.

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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: C6H7ClN2
Molecular weight: 142.6

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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, hydrogen chloride.

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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：

  2-氯-5-氨甲基吡啶 在 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 17.5h， 生成 奈妥吡坦
  参考文献：
  名称：

  一种奈妥匹坦的制备方法

  摘要：

  本发明公开了一种奈妥匹坦的制备方法，属于医药化合物领域。本发明将2‑氯‑5氨基吡啶与甲酸缩合，然后经还原、Boc保护、碘代，然后经偶联、脱保护后与2‑(3,5‑双三氟甲基‑苯基)‑2‑甲基丙酸缩合，最后与N‑甲基哌嗪取代后得到奈妥匹坦。本发明提供的制备工艺各步骤副反应少，收率高，后处理简单，对环境污染小，得到产品纯度高，单杂低。

  公开号：

  CN107698500A
• 作为产物：
  描述：

  N-(6-chloro-pyridin-3-yl)-formamide 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以87%的产率得到2-氯-5-氨甲基吡啶
  参考文献：
  名称：

  一种奈妥匹坦的制备方法

  摘要：

  本发明公开了一种奈妥匹坦的制备方法，属于医药化合物领域。本发明将2‑氯‑5氨基吡啶与甲酸缩合，然后经还原、Boc保护、碘代，然后经偶联、脱保护后与2‑(3,5‑双三氟甲基‑苯基)‑2‑甲基丙酸缩合，最后与N‑甲基哌嗪取代后得到奈妥匹坦。本发明提供的制备工艺各步骤副反应少，收率高，后处理简单，对环境污染小，得到产品纯度高，单杂低。

  公开号：

  CN107698500A

文献信息

• Chemical profiling of HIV-1 capsid-targeting antiviral PF74
  作者：Lei Wang、Mary C. Casey、Sanjeev Kumar V. Vernekar、Ha T. Do、Rajkumar Lalji Sahani、Karen A. Kirby、Haijuan Du、Atsuko Hachiya、Huanchun Zhang、Philip R. Tedbury、Jiashu Xie、Stefan G. Sarafianos、Zhengqiang Wang

  DOI：10.1016/j.ejmech.2020.112427

  日期：2020.8

  herein the design, synthesis, and evaluation of a large number of PF74 analogs aiming to provide a comprehensive chemical profiling of PF74 and advance the understanding on its detailed binding mechanism and pharmacophore. The analogs, containing structural variations mainly in the aniline domain and/or the indole domain, were assayed for their effect on stability of CA hexamers, antiviral activity,

  HIV-1 的衣壳蛋白 (CA) 通过组装成功能性衣壳核心、控制脱壳和进入核的动力学以及与各种宿主因子相互作用，在病毒复制周期的多个步骤中发挥重要作用。靶向 CA 是一种有吸引力但尚未开发的抗病毒方法。在所有已知的靶向 CA 的小分子化学型中，拟肽 PF74 特别有趣，因为它与一些重要宿主因子使用的相同口袋结合，从而产生非常理想的抗病毒表型。然而，PF74 的进一步开发需要了解其药效团并减轻其较差的代谢稳定性。我们在此报告设计、合成、和评估大量 PF74 类似物，旨在提供 PF74 的全面化学分析，并促进对其详细结合机制和药效团的理解。分析了主要在苯胺结构域和/或吲哚结构域中包含结构变异的类似物对 CA 六聚体稳定性、抗病毒活性和细胞毒性的影响。还测试了选定的类似物在肝微粒体中的代谢稳定性，单独或在 CYP3A 抑制剂存在的情况下。总的来说，我们的研究确定了重要的药效团元素并揭示了 PF74
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：IRM LLC

  公开号：WO2014078813A1

  公开（公告）日：2014-05-22

  The present invention provides compounds of formula I: [INSERT FORMULA HERE] or a pharmaceutically acceptable salt, tautomer, or stereoisomer, thereof, wherein the variables are as defined herein. The present invention further provides pharmaceutical compositions comprising such compounds and methods of using such compounds for treating, preventing, inhibiting, ameliorating, or eradicating the pathology and/or symptomology of a disease, such as malaria, caused by a Plasmodium parasite.

  本发明提供了式I的化合物：[在此插入公式]或其药学上可接受的盐、互变异构体或立体异构体，其中变量如本文所定义。本发明还提供了包含这种化合物的药物组合物以及使用这种化合物治疗、预防、抑制、改善或根除由疟原虫引起的疟疾等疾病的方法。
• [EN] 2,4-DIAMINO-PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2,4-DIAMINO-PYRIMIDINE
  申请人：ASTRAZENECA AB

  公开号：WO2009010794A1

  公开（公告）日：2009-01-22

  The invention concerns compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R1, Q, R3, and R4 are as defined in the description. The present invention also relates to processes for the preparation ofsuch compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4 kinases.

  本发明涉及式(I)化合物，或其药用可接受盐，其中R1、Q、R3和R4如描述中定义。本发明还涉及制备此类化合物的方法、包含它们的药物组合物以及它们在制造用作抗增殖剂的药物中的应用，用于预防或治疗对EphB4激酶抑制敏感的肿瘤或其他增殖性疾病。
• Selective <i>N</i>-monomethylation of primary anilines with the controllable installation of <i>N</i>-CH₂D, <i>N</i>-CHD₂, and <i>N</i>-CD₃ units
  作者：Jing Meng、Hui-Min Xia、Ai-Qing Xu、Yi-Feng Wang、Zhijuan Wang、Feng-Lian Zhang

  DOI：10.1039/d0ob01054e

  日期：——

  The selective N-monomethylation of primary anilines with the controllable installation of N-CH₂D, N-CHD₂, and N-CD₃ units was realized by using the amine-borane/N,N-dimethylformamide (DMF) system as the methyl precursor.

  主要苯胺的选择性N-单甲基化通过使用胺硼烷/N,N-二甲基甲酰胺（DMF）体系作为甲基前体，实现了可控地安装N-CH2D、N-CHD2和N-CD3基团。
• 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1544200A1

  公开（公告）日：2005-06-22

  The present invention provides [1,2,4]triazolo[1,5-c]pyrimidine derivatives or pharmaceutically acceptable salts thereof which have adenosine A2A receptor antagonism and are useful for treating and/or preventing a disease induced by hyperactivity of an adenosine A2A receptor, the derivatives being represented by formula (I): (wherein R1 represents substituted or unsubstituted aryl or a substituted or unsubstituted aromatic heterocyclic group; R2 represents a hydrogen atom, halogen, lower alkyl, lower alkanoyl, aroyl, substituted or unsubstituted aryl, or a substituted or unsubstituted aromatic heterocyclic group; R3 represents lower alkyl, lower cycloalkyl, substituted or unsubstituted lower alkanoyl, substituted or unsubstituted aryl, or a substituted or unsubstituted aromatic heterocyclic group; and Q represents a hydrogen atom or 3,4-dimethoxybenzyl).

  本发明提供了[1,2,4]三唑并[1,5-c]嘧啶衍生物或其药学上可接受的盐，该衍生物具有腺苷A2A受体拮抗作用，可用于治疗和/或预防由腺苷A2A受体活性过高引起的疾病，其衍生物由以下通式(I)表示：(其中R1代表取代或未取代的芳基或取代或未取代的芳香杂环基团；R2代表氢原子、卤素、低级烷基、低级烷酰基、芳酰基、取代或未取代的芳基或取代或未取代的芳香杂环基团；R3代表低级烷基、低级环烷基、取代或未取代的低级烷酰基、取代或未取代的芳基或取代或未取代的芳香杂环基团；Q代表氢原子或3,4-二甲氧基苄基)。