1-甲基-1H-吡唑-4-胺盐酸盐 | 127107-23-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-甲基-1H-吡唑-4-胺盐酸盐
• 中文别名: 1-甲基-1H-吡唑-4-胺
• 英文名称: 1-methyl-1H-pyrazol-4-amine hydrochloride
• 英文别名: 1-methylpyrazol-4-amine hydrochloride；1-methyl-4-aminopyrazole hydrochloride；1-methyl-1H-pyrazole-4-amine hydrochloride；1-methyl-1H-pyrazol-4-ylamine hydrochloride；1-methylpyrazol-4-amine;hydrochloride
• CAS: 127107-23-7
• 化学式: C₄H₇N₃*ClH
• mdl: MFCD07626616
• 分子量: 133.581
• InChiKey: OKPCAONVUKBJJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.43
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  43.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 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-Methylpyrazol-4-amine 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-Methylpyrazol-4-amine HCl
CAS number: 127107-23-7

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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: C4H8ClN3
Molecular weight: 133.6

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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-胺盐酸盐 在 盐酸 、 sodium nitrite 、 tin(ll) chloride 作用下， 以 水 为溶剂， 以78 %的产率得到4-hydrazino-1-methyl-1H-pyrazole dihydrochloride
  参考文献：
  名称：

  AhR抑制剂

  摘要：

  本公开涉及一种如式(I)所示的化合物或其药学上可接受的盐，其作为AhR抑制剂的用途及制备方法。

  公开号：

  CN114835687A
• 作为产物：
  描述：

  C₆H₉N₃O 在 盐酸 、 水 作用下， 以 正丁醇 为溶剂， 以88%的产率得到1-甲基-1H-吡唑-4-胺盐酸盐
  参考文献：
  名称：

  铜催化的芳基酰胺化反应以公斤级规模制备氨基吡唑结构单元

  摘要：

  我们描述了一种可扩展的方法，该方法使用铜催化的酰胺化与乙酰胺作为氨替代物来制备氨基吡唑结构单元。该程序提供了标准硝化/还原顺序的替代方法，避免了高能中间体，专门的氢化设备以及因硝基还原而产生的潜在遗传毒性杂质。该化学方法已成功按比例生产出了> 50 kg的目标化合物，并证明了这种替代方法的可行性。

  DOI：

  10.1021/acs.oprd.1c00066
• 作为试剂：
  描述：

  1-甲基-1H-吡唑-4-胺盐酸盐 、 3-(2-chloropyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester 在 1-甲基-1H-吡唑-4-胺盐酸盐 作用下， 以99的产率得到4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
  参考文献：
  名称：

  J. Med. Chem. 2018, 61, 8597-8612

  摘要：

  DOI：

文献信息

• [EN] Amide compounds and uses thereof<br/>[FR] COMPOSÉS AMIDES ET LEURS UTILISATIONS
  申请人：HUTCHISON MEDIPHARMA LTD

  公开号：WO2021197276A1

  公开（公告）日：2021-10-07

  Provided herein are novel amide compounds of formula (I), pharmaceutical compositions comprising same, methods for preparing same, and uses thereof, wherein the definition of each symbol is as described in the description.

  本文提供了化合物的新型酰胺化合物的公式(I)，包括相同的药物组合物，制备相同的方法以及它们的用途，其中每个符号的定义如描述中所述。
• [EN] GLUCOSE UPTAKE INHIBITORS<br/>[FR] INHIBITEURS DE L'ABSORPTION DU GLUCOSE
  申请人：KADMON CORP LLC

  公开号：WO2020005935A1

  公开（公告）日：2020-01-02

  This invention provides compounds that modulate glucose uptake activity and cellular transport/uptake of glucose, and particularly GLUTS3, but also including but not limited to GLUT1-14 (SLC2A1-SLC2A14). Compounds of the invention are useful for treating diseases, including cancer, autoimmune diseases and inflammation, infectious diseases, and metabolic diseases.

  这项发明提供了一种调节葡萄糖摄取活性和细胞对葡萄糖的运输/摄取的化合物，尤其是GLUTS3，但也包括但不限于GLUT1-14（SLC2A1-SLC2A14）。发明中的化合物可用于治疗包括癌症、自身免疫性疾病和炎症、感染性疾病以及代谢性疾病。
• [EN] HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LA MÉDIATION DE L'ACTIVITÉ DE LA TYROSINE KINASE 2
  申请人：GUANGZHOU INNOCARE PHARMA TECH CO LTD

  公开号：WO2020259584A1

  公开（公告）日：2020-12-30

  Heterocyclic compounds shown in Formula (I) suitable for inhibiting or regulating the activity of Janus kinase (JAK), particularly tyrosine kinase 2 (TYK2). The compounds are useful for preventing and/or treating relevant JAK-mediated diseases, such as autoimmune diseases, inflammatory diseases, and cancers.

  公式（I）中显示的杂环化合物适用于抑制或调节Janus激酶（JAK）活性，特别是酪氨酸激酶2（TYK2）。这些化合物对预防和/或治疗相关的JAK介导疾病，如自身免疫疾病、炎症性疾病和癌症，具有用处。
• 杂环类化合物、其制备方法及其在医药学上的应用
  申请人：广州诺诚健华医药科技有限公司

  公开号：CN112142743A

  公开（公告）日：2020-12-29

  本发明涉及适用于抑制或调控Janus家族激酶(JAK)、尤其是酪氨酸激酶2(TYK2)的杂环类化合物、其制备方法及其在医药学上的应用。具体而言，本发明涉及一种通式(I)所示的化合物及其可药用的盐、含有所述化合物或其可药用的盐的药物组合物、应用所述化合物或其可药用的盐治疗和/或预防由Janus激酶介导的相关性病症、特别是自身免疫性疾病、炎性疾病和癌症的方法以及所述化合物或其可药用的盐的制备方法。本发明还涉及所述化合物或其可药用的盐或含有所述化合物或其可药用的盐的药物组合物在制备用于治疗和/或预防Janus激酶介导的相关性病症，特别是自身免疫性疾病、炎性疾病和癌症的药物中的用途。其中通式(I)的各取代基与说明书中的定义相同。
• [EN] HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS<br/>[FR] DÉRIVÉS HÉTÉROAROMATIQUES EN TANT QU'INHIBITEURS DE NIK
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018002217A1

  公开（公告）日：2018-01-04

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-κB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  本发明涉及对哺乳动物疗法和/或预防有用的药物，特别是对NF-κB诱导激酶（NIK - 也称为MAP3K14）的抑制剂，用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病。该发明还涉及包含这些化合物的药物组合物，以及利用这些化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病在内的代谢性疾病以及自身免疫性疾病。