(6-甲氧基吡啶-3-基)甲基胺 | 262295-96-5

• 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 - 有机氧化合物
• 中文名称: (6-甲氧基吡啶-3-基)甲基胺
• 中文别名: 2-甲氧基-5-(氨甲基)吡啶；6-甲氧基-3-吡啶甲胺；3-吡啶-2,6-甲氧基-(9CI)；2-甲氧基吡啶-5-甲胺
• 英文名称: (6-methoxypyridin-3-yl)methanamine
• 英文别名: 2-methoxy-5-(aminomethyl)pyridine
• CAS: 262295-96-5
• 化学式: C₇H₁₀N₂O
• mdl: MFCD06212825
• 分子量: 138.169
• InChiKey: AUOIYQDHPOAYQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  239.3±25.0 °C(Predicted)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  8,6.1
• 危险性防范说明：
  P261,P280,P301+P310,P305+P351+P338
• 危险品运输编号：
  2922
• 危险性描述：
  H301,H315,H318,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (6-Methoxypyridin-3-yl)methanamine
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: (6-Methoxypyridin-3-yl)methanamine
CAS number: 262295-96-5

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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: C7H10N2O
Molecular weight: 138.2

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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：

  (6-甲氧基吡啶-3-基)甲基胺 在 碘代三甲硅烷 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 18.0h， 生成 5-(aminomethyl)-2(1H)-pyridinone
  参考文献：
  名称：

  Synthesis of huperzine A, its analogs, and their anticholinesterase activity

  摘要：

  Huperzine A is a new alkaloid isolated from the club moss Huperzia serrata (Thunb.) Trev., a Chinese folk medicine. This alkaloid exhibits potent activity as an inhibitor of acetylcholinesterase. Consequently, the compound is presently being investigated in China for the treatment of individuals suffering from various forms of memory impairment including Alzheimer's dementia. Details of the total synthesis of (+/-)-huperzine A are described as well as the preparation of a variety of huperzine analogues including its presumed pharmacophore. The extent of these new compounds to inhibit acetylcholinesterase is presented along with a discussion of the effects of the structural changes on biological activity.

  DOI：

  10.1021/jo00015a014
• 作为产物：
  描述：

  6-氯烟酰胺 在 1,4-二氧六环 、 甲醇 、 氯仿 、 氨 、 镍 、 三氯氧磷 作用下， 生成 (6-甲氧基吡啶-3-基)甲基胺
  参考文献：
  名称：

  393. 砜类化疗剂。第 V.2 部分：吡啶的 5-二取代衍生物

  摘要：

  DOI：

  10.1039/jr9480001939

文献信息

• HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS
  申请人：CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD.

  公开号：US20170253614A1

  公开（公告）日：2017-09-07

  A series of hepatitis C virus (HCV) inhibitors and compositions and applications thereof in the preparation of drugs for treating chronic HCV infection. Especially, a series of compounds that are used as NS5A inhibitors, and compositions and uses thereof in the preparations of drugs.

  一系列丙型肝炎病毒（HCV）抑制剂及其组合物，以及在制备用于治疗慢性HCV感染的药物时的应用。特别是一系列用作NS5A抑制剂的化合物，以及在药物制剂中的组合物和用途。
• Inhibitors of c-Jun N-terminal kinases
  申请人：Liu Gang

  公开号：US20060173050A1

  公开（公告）日：2006-08-03

  The present invention relates to compounds that are inhibitors of c-jun N-terminal kinase 1, 2, or 3 (JNK1, JNK2, or JNK3), compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by the activation of JNK1, JNK2 and JNK3.

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。
• Discovery of Tetrahydropyrazolopyrimidine Carboxamide Derivatives As Potent and Orally Active Antitubercular Agents
  作者：Fumiaki Yokokawa、Gang Wang、Wai Ling Chan、Shi Hua Ang、Josephine Wong、Ida Ma、Srinivasa P S Rao、Ujjini Manjunatha、Suresh B Lakshminarayana、Maxime Herve、Cyrille Kounde、Bee Huat Tan、Pamela Thayalan、Seow Hwee Ng、Mahesh Nanjundappa、Sindhu Ravindran、Peck Gee、Maria Tan、Liu Wei、Anne Goh、Pei-Yu Chen、Kok Sin Lee、Chen Zhong、Trixie Wagner、Ina Dix、Arnab K. Chatterjee、Kevin Pethe、Kelli Kuhen、Richard Glynne、Paul Smith、Pablo Bifani、Jan Jiricek

  DOI：10.1021/ml400071a

  日期：2013.5.9

  through-put screening (HTS) campaign. A series of derivatives of this class were synthesized to evaluate their structure-activity relationship (SAR) and structure-property relationship (SPR). Compound 9 had a promising in vivo DMPK profile in mouse and exhibited potent in vivo activity in a mouse efficacy model, achieving a reduction of 3.5 log CFU of Mtb after oral administration to infected mice once a day

  从结核分枝杆菌（Mtb）全细胞高通量筛选（HTS）活动中鉴定了四氢吡唑并[1,5-a]嘧啶支架是一个热门系列。合成了这类的一系列衍生物，以评估它们的结构-活性关系（SAR）和结构-性质关系（SPR）。化合物9在小鼠中具有有希望的体内DMPK谱，并且在小鼠功效模型中表现出有效的体内活性，在以100 mg / kg的剂量每天口服一次给予感染小鼠28天后，实现了Mtb的3.5 log CFU降低。因此，化合物9是药物敏感性和耐药性TB的联合疗法中潜在的候选药物。
• [EN] PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉ CHIMÈRE CIBLANT LA PROTÉOLYSE (PROTAC) AYANT UNE ACTIVITÉ DE LIAISON À L'UBIQUITINE LIGASE E3 ET CIBLANT UNE PROTÉINE ALPHA-SYNUCLÉINE POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：ARVINAS OPERATIONS INC

  公开号：WO2020041331A1

  公开（公告）日：2020-02-27

  The present disclosure relates to bifunctional compounds, which find utility as modulators of alpha-synuclein (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hippel-Lindau, cereblon, Inhibitors of Apotosis Proteins or mouse double-minute homolog 2 ligand which binds to the respective E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/ inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure. Such diseases or disorders are alpha-synucleinopathies or neurodegenerative diseases associated with alpha-synuclein accumulation and aggregation, such as e.g. Parkinson Disease, Alzheimer's Disease, dementia, dementia with Lewy bodies or multiple system atrophy, in particular Parkinson's Disease.

  本公开涉及双功能化合物，其作为α-突触核蛋白（目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端为Von Hippel-Lindau、cereblon、凋亡抑制蛋白或鼠双分子同源物2配体的双功能化合物，该配体与相应的E3泛素连接酶结合，另一端为与目标蛋白结合的基团，使得目标蛋白靠近泛素连接酶以促使目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性范围。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。这些疾病或紊乱是与α-突触核蛋白积累和聚集相关的α-突触核蛋白病或神经退行性疾病，例如帕金森病、阿尔茨海默病、痴呆症、带有Lewy小体的痴呆症或多系统萎缩，特别是帕金森病。
• 酰胺类醛脱氢酶激动剂、其合成方法及用途
  申请人：中国人民解放军第二军医大学

  公开号：CN108864034A

  公开（公告）日：2018-11-23

  本发明属于药物化学技术领域，具体涉及一类酰胺类醛脱氢酶激动剂、其合成方法及用途。本发明提供的的酰胺类化合物显示了对ALDH2较高的激动活性，因此这些化合物具有制备与ALDH2活性相关的疾病的治疗药物的潜力；（2）本发明的酰胺类化合物较阳性对照物活性和水溶性明显提高，有更好的成药性。因此，本发明的化合物具有良好的开发前景。