1-甲基-1H-吡唑-4-甲胺盐酸盐 | 1107601-70-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-甲基-1H-吡唑-4-甲胺盐酸盐
• 中文别名: (1-甲基-1H-吡唑-4-基)甲胺盐酸盐；4-(氨基甲基)-1-甲基吡唑盐酸盐
• 英文名称: (1-methyl-1H-pyrazol-4-yl)methanamine hydrochloride
• 英文别名: (1-methylpyrazol-4-yl)methanamine;hydrochloride
• CAS: 1107601-70-6
• 化学式: C₅H₉N₃*ClH
• mdl: MFCD11042229
• 分子量: 147.608
• InChiKey: IPJABYVHNXMKEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.47
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (1-Methyl-1h-pyrazol-4-yl)methanamine, HCl
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-1h-pyrazol-4-yl)methanamine, HCl
CAS number: 1107601-70-6

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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: C5H9N3.ClH
Molecular weight: 147.6

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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：

  1-甲基-1H-吡唑-4-甲胺盐酸盐 、 methyl 1-tosyl-1H-pyrazole-3-carboxylate 在 三甲基铝 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以63 mg的产率得到N-((1-methyl-1H-pyrazol-4-yl)methyl)-1-tosyl-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  [EN] N-((HETEROARYL)METHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE DERIVATIVES AS KV3 POTASSIUM CHANNEL ACTIVATORS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS
  [FR] DÉRIVÉS DE N-((HÉTÉROARYL)MÉTHYL)-1-TOSYL-1H-PYRAZOLE-3-CARBOXAMIDE UTILISÉS EN TANT QU'ACTIVATEURS DU CANAL POTASSIQUE KV3 POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET PSYCHIATRIQUES

  摘要：

  本发明提供了结构式（I）的N-（（杂环芳基）甲基）-l-对甲苯磺酰基-lH-吡唑-3-羧酰胺衍生物，其激活Kv3钾通道。该发明的不同方面涉及包含所述化合物的制药组合物以及用于对响应于Kv3钾通道激活的疾病的医疗治疗方法的化合物和制药组合物，例如神经或精神疾病，例如癫痫，精神分裂症，与精神分裂症相关的认知障碍（CIAS），自闭症谱系障碍，双相情感障碍，注意力缺陷多动障碍，焦虑相关障碍，抑郁症，认知功能障碍，阿尔茨海默病，脆性X综合征，慢性疼痛，听力损失，睡眠和昼夜节律障碍以及睡眠障碍。示例化合物例如：•4-甲基-N-（（5-甲基吡唐-2-基）甲基）-1-对甲苯磺酰基-1H-吡唑-3-羧酰胺（示例1；化合物32），•N-（（1-甲基-1H-吡唑-4-基）甲基）-1-对甲苯磺酰基-1H-吡唑-3-羧酰胺（示例2；化合物62），•1-（（4-（二氟甲氧基）苯基）磺酰基）-N-（（5-甲基吡唐-2-基）甲基）-1H-吡唑-3-羧酰胺（示例3；化合物65）。本说明公开了示例化合物的合成以及相关的生物活性数据（例如，第24至47页；示例1至3；表1；化合物1至86）。

  公开号：

  WO2020216920A1

文献信息

• [EN] MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS<br/>[FR] COMPOSÉS MACROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DU PROTÉASOME
  申请人：UNIV CORNELL

  公开号：WO2019075259A1

  公开（公告）日：2019-04-18

  The compounds of the present invention are represented by the following compounds having Formula I and Formula (I'): where the substituents R1, R2, R2', R3, R4, R5, R', R", X, Y, and Z are as defined herein and where the substituents R1, R2, R3, R4, R5, R', R", X, Y, and Z are as defined herein. These compounds are used in the treatment of bacterial infections, parasite infections, fungal infections, cancer, immunologic disorders, autoimmune disorders, neurodegenerative diseases and disorders, inflammatory disorders, or muscular dystrophy or for providing immunosuppression for transplanted organs or tissues.

  本发明的化合物由具有以下式I和式(I')的化合物表示，其中取代基R1、R2、R2'、R3、R4、R5、R'、R"、X、Y和Z如本文所定义，取代基R1、R2、R3、R4、R5、R'、R"、X、Y和Z如本文所定义。这些化合物用于治疗细菌感染、寄生虫感染、真菌感染、癌症、免疫紊乱、自身免疫性疾病、神经退行性疾病和紊乱、炎症性疾病，或肌肉萎缩症，或用于为移植的器官或组织提供免疫抑制。
• PYRAZOLO[3,4-b]PYRIDINES AND IMIDAZO[1,5-b]PYRIDAZINES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20180179200A1

  公开（公告）日：2018-06-28

  The present invention provides compounds of formula (I) that are PDE1 enzyme inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders. The present invention also provides pharmaceutical compositions comprising compounds of the invention and methods of treating disorders using the compounds of the invention.

  本发明提供了式(I)化合物，其为PDE1酶抑制剂，并将其用作药物，特别是用于治疗神经退行性疾病和精神疾病。本发明还提供了包含本发明化合物的药物组合物以及使用这些化合物治疗疾病的方法。
• BICYCLIC HETEROCYCLES AS FGFR INHIBITORS
  申请人：Incyte Corporation

  公开号：US20140315902A1

  公开（公告）日：2014-10-23

  The present invention relates to bicyclic heterocycles, and pharmaceutical compositions of the same, that are inhibitors of one or more FGFR enzymes and are useful in the treatment of FGFR-associated diseases such as cancer.

  本发明涉及双环杂环化合物及其药物组合物，这些化合物是一种或多种FGFR酶的抑制剂，并且在治疗FGFR相关疾病如癌症方面具有用途。
• [EN] BENZO[B]FURANS AS BROMODOMAIN INHIBITORS<br/>[FR] BENZO[B]FURANES EN TANT QU'INHIBITEURS DE BROMODOMAINE
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017174620A1

  公开（公告）日：2017-10-12

  The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

  本发明涉及式I化合物及其盐类、含有此类化合物的药物组合物以及它们在治疗中的用途。
• BENZIMIDAZOLE AND INDOLE COMPOUNDS AND USES THEREOF
  申请人：Incyte Corporation

  公开号：US20190315717A1

  公开（公告）日：2019-10-17

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  揭示了式（I）的化合物，使用这些化合物抑制HPK1活性的方法以及包含这些化合物的药物组合物。这些化合物在治疗、预防或改善与HPK1活性相关的疾病或障碍，如癌症方面是有用的。