3-(2,4-二氯苯基)-1H-吡唑-4-胺 | 268547-51-9

• 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-(2,4-二氯苯基)-1H-吡唑-4-胺
• 中文别名: 4-氨基-3-(2,4-二氯苯基)吡唑
• 英文名称: 4-amino-3-(2,4-dichlorophenyl)-1H-pyrazole
• 英文别名: 3-amino-4-(2,4-dichlorophenyl)pyrazole；3-(2,4-Dichlorophenyl)-1H-pyrazol-4-amine；5-(2,4-dichlorophenyl)-1H-pyrazol-4-amine
• CAS: 268547-51-9
• 化学式: C₉H₇Cl₂N₃
• 分子量: 228.081
• InChiKey: HNNJZILWHYSZMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-3-(2,4-dichlorophenyl)pyrazole
Synonyms: 3-(2,4-Dichlorophenyl)-1H-pyrazol-4-amine

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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: 4-Amino-3-(2,4-dichlorophenyl)pyrazole
CAS number: 268547-51-9

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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: C9H7Cl2N3
Molecular weight: 228.1

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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-(2,4-二氯苯基)-1H-吡唑-4-胺 以25的产率得到3-(2,4-dichlorophenyl)-5-methyl-7-hydroxypyrazolo-[4,3-b]pyridine
  参考文献：
  名称：

  CRF receptor antagonists and methods relating thereto

  摘要：

  本发明揭示了CRF受体拮抗剂，其在治疗多种疾病方面具有用途，包括治疗温血动物中CRF分泌过多表现的疾病，例如中风。本发明的CRF受体拮抗剂具有以下结构：包括立体异构体和其药学上可接受的盐，其中n、m、A、B、C、R、R1、R2和Ar的定义如本文所述。本发明还揭示了含有CRF受体拮抗剂和药学上可接受的载体组合的组合物，以及使用它们的方法。

  公开号：

  US06514982B1
• 作为产物：
  描述：

  2,2',4'-三氯苯乙酮 在 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3-(2,4-二氯苯基)-1H-吡唑-4-胺
  参考文献：
  名称：

  Synthesis of 3-phenylpyrazolo[4,3-b]pyridines via a convenient synthesis of 4-amino-3-arylpyrazoles and SAR of corticotropin-Releasing factor receptor type-1 antagonists

  摘要：

  3-Phenylpyrazolo[4,3-b]pyridines were synthesized via a cyclization of 4-amino-3-phenylpyrazoles 11-13 with ethyl acetoacetate. These compounds were found to be potent CRF1 antagonists. The 2-alkylpyrazolo[4,3-b]pyridines were more polar but less active than the corresponding 1-alkyl-isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00621-8

文献信息

• Novel benzoylureas
  申请人：SANDOZ AG

  公开号：EP0248765A2

  公开（公告）日：1987-12-09

  Novel compounds of formula (A) wherein W, X¹, X², X³, R¹, R² and R³ are as specified in the description, the preparation of such compounds, their use for the control of pests and pest-controlling compositions comprising such compounds.

  本发明涉及一种化合物，其化学式为（A），其中W，X¹，X²，X³，R¹，R²和R³如描述中所述，本发明还涉及制备这些化合物的方法，以及使用这些化合物控制害虫和含有这些化合物的杀虫剂组合物。
• Design and Synthesis of Tricyclic Corticotropin-Releasing Factor-1 Antagonists
  作者：Raymond S. Gross、Zhiqiang Guo、Brian Dyck、Tim Coon、Charles Q. Huang、Richard F. Lowe、Dragan Marinkovic、Manisha Moorjani、Jodene Nelson、Said Zamani-Kord、Dimitri E. Grigoriadis、Sam R. J. Hoare、Paul D. Crowe、Jane Han Bu、Mustapha Haddach、James McCarthy、John Saunders、Robert Sullivan、Chen、John P. Williams

  DOI：10.1021/jm049085v

  日期：2005.9.1

  Antagonists of the corticotropin-releasing factor (CRF) neuropeptide should prove to be effective in treating stress and anxiety-related disorders. In an effort to identify antagonists with improved physicochemical properties, new tricyclic CRF, antagonists were designed, synthesized, and tested for biological activity. As a result of studies aimed at establishing a relationship between structure and CRF, binding affinity, NBI 35965 (12a) was identified as a high-affinity antagonist with a pK(i) value of 8.5. Compound 12a proved to be a functional CRF, antagonist with pIC(50) values of 7.1 and 6.9 in the in vitro CRF-stimulated cAMP accumulation and ACTH production assays, respectively, and 12a also reduced CRF or stress induced ACTH production in vivo.
• [EN] AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS<br/>[FR] COMPOSÉS AMINÉS POUR TRAITER LES TROUBLES À MÉDIATION PAR LE COMPLÉMENT
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2015130806A1

  公开（公告）日：2015-09-03

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R12 or R13 on the A group is an amino substituent (R32) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.