3-氨基-5-(2-氯苯基)吡唑 | 126520-01-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-氨基-5-(2-氯苯基)吡唑
• 中文别名: 3-(2-氯苯基)-1H-吡唑-5-胺
• 英文名称: 5-(2-chlorophenyl)-1H-pyrazole-3-amine
• 英文别名: 3-(2-chlorophenyl)-1H-pyrazol-5-amine；5-amino-3-(2-chlorophenyl)-1H-pyrazole；5-amino-3-(2-chlorophenyl)pyrazole；5-(2-chlorophenyl)-2H-pyrazol-3-ylamine；5-(2-chlorophenyl)-1H-pyrazol-3-amine
• CAS: 126520-01-2
• 化学式: C₉H₈ClN₃
• 分子量: 193.636
• InChiKey: CCHHJUFHNSRPLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-(2-Chlorophenyl)-1h-pyrazol-3-amine
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: 5-(2-Chlorophenyl)-1h-pyrazol-3-amine
CAS number: 126520-01-2

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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: C9H8ClN3
Molecular weight: 193.6

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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：

  3-氨基-5-(2-氯苯基)吡唑 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride N-碘代丁二酰亚胺 、 四丁基氢氧化铵 、 水 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 二氯甲烷 、 氯仿 、 水 、 甲苯 为溶剂， 反应 13.5h， 生成 3-(4-Chlorophenyl)-2-(2-chlorophenyl)-pyrazolo[1,5-a]pyrimidin-7-ol
  参考文献：
  名称：

  [EN] PYRAZOLO [1,5-A] PYRIMIDIN-7-ONE COMPOUNDS AND USES THEREOF
  [FR] COMPOSES DE PYRAZOLO[1,5-A] PYRIMIDIN-7-ONE ET LEURS UTILISATIONS

  摘要：

  本文描述了公式（I）和（II）的化合物。这些化合物已被证明作为大麻素受体配体，并因此在治疗与动物中的大麻素受体调节相关的疾病方面有用。

  公开号：

  WO2005103052A1
• 作为产物：
  描述：

  2-氯苯甲酸甲酯 在 正丁基锂 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 2.5h， 生成 3-氨基-5-(2-氯苯基)吡唑
  参考文献：
  名称：

  发现吡唑并[1,5-a]嘧啶衍生物作为治疗 AML 的新型选择性 ALKBH5 抑制剂

  摘要：

  M 6 A（ N 6 -甲基腺苷）在调节RNA加工、剪接、成核、翻译和稳定性方面发挥着重要作用。 AlkB 同源物 5 (ALKBH5) 是一种 Fe(II)/2-酮戊二酸 (2-OG) 依赖性双加氧酶，可使单或二甲基化腺苷去甲基化。 ALKBH5可被视为多种人类癌症的致癌因子。然而，有效且选择性的 ALKBH5 抑制剂的发现仍然是一个挑战。我们通过基于结构的虚拟筛选和优化，将DDO-2728鉴定为 ALKBH5 的新型选择性抑制剂。 DDO-2728不是 2-酮戊二酸类似物，与 FTO 相比，可以选择性抑制 ALKBH5 的去甲基酶活性。 DDO-2728增加了 AML 细胞中 m 6 A 修饰的丰度，降低了TACC3 mRNA 的稳定性，并抑制了细胞周期进程。此外， DDO-2728显着抑制 MV4-11 异种移植小鼠模型中的肿瘤生长，并显示出良好的安全性。总的来说，我们的结果强调了 ALKBH5

  DOI：

  10.1021/acs.jmedchem.3c01374

文献信息

• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc

  公开号：US20040157839A1

  公开（公告）日：2004-08-12

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals are described herein. 1

  化合物的化学式（I），其作为大麻素受体配体并在治疗与动物体内大麻素受体介导相关疾病中的用途被描述在此。
• [EN] BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS<br/>[FR] COMPOSES A FUSION PYRAZOLO BICYCLIQUES UTILISES COMME MODULATEURS DE PROTEINE KINASES
  申请人：STRUCTURAL GENOMIX INC

  公开号：WO2005068473A1

  公开（公告）日：2005-07-28

  The present invention provides novel bicyclic pyrazolo kinase modulators and methods of using the novel bicyclic pyrazolo kinase modulators to treat diseases mediated by kinase activity.

  本发明提供了新颖的双环吡唑酮酶调节剂，并提供了使用这些新颖的双环吡唑酮酶调节剂来治疗由酶活性介导的疾病的方法。
• [EN] PYRAZOLO`1,5-A!`1,3,5! TRIAZIN -4-ONE DERIVATIVES AS CB1 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE PYRAZOLO[1,5-A][1,3,5]TRIAZIN-4-ONE EN TANT QU'ANTAGONISTES DES RECEPTEURS CB1
  申请人：PFIZER PROD INC

  公开号：WO2005049615A1

  公开（公告）日：2005-06-02

  Compounds of Formula (I) are described herein. The compounds have been shown to act as cannabinoid receptor ligands and are therefore useful in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals.

  本文描述了化学式（I）的化合物。这些化合物已被证明作为大麻素受体配体，并因此在治疗与动物体内大麻素受体调节相关的疾病方面具有用途。
• Efficient Syntheses of New CF₃-containing Diazolopyrimidines
  作者：Valentine Nenajdenko、Arcady Krasovsky、Anton Hartulyari、Elizabeth Balenkova

  DOI：10.1055/s-2002-19313

  日期：——

  A new simple and efficient way to CF3-containing pyrimido[1,2-a]benzimidazole and pyrazolo[1,5-a]pyrimidines, by the reaction of 1,1,1-trifluoro-4-sulfonyl-but-3-ene-2,2-dioles 1a,b with aminoheterocycles is described. The influence of reaction conditions and nature of the aminoheterocycles on regiochemistry was investigated.

  本文描述了一种新的简单有效的方法，通过1,1,1-三氟-4-磺酰基-3-丁烯-2,2-二醇1a,b与氨基杂环的反应，制备含CF3的嘧啶并[1,2-a]苯并咪唑和吡唑并[1,5-a]嘧啶。研究了反应条件和氨基杂环性质对反应化学的影响。
• Bicyclic pyrazolo protein kinase modulators
  申请人：Bounaud Pierre-Yves

  公开号：US20050176786A1

  公开（公告）日：2005-08-11

  The present invention provides novel bicyclic pyrazolo kinase modulators and methods of using the novel bicyclic pyrazolo kinase modulators to treat diseases mediated by kinase activity.

  本发明提供了新型双环吡唑酮酸激酶调节剂以及使用这些新型双环吡唑酮酸激酶调节剂治疗由激酶活性介导的疾病的方法。