1-(4-溴苯基)-4-甲基哌嗪 | 130307-08-3

• 物质功能分类: 医药中间体 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(4-溴苯基)-4-甲基哌嗪
• 英文名称: 1-(4-bromophenyl)-4-methylpiperazine
• 英文别名: 1-bromo-4-(4-methyl-1-piperazinyl)benzene
• CAS: 130307-08-3
• 化学式: C₁₁H₁₅BrN₂
• 分子量: 255.157
• InChiKey: WCOODAWUEIXTFL-UHFFFAOYSA-N

物化性质

• 沸点：
  331.0±37.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

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：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090
• 储存条件：
  | 温度范围：2-8℃ |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(4-Bromophenyl)-4-methylpiperazine
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-(4-Bromophenyl)-4-methylpiperazine
CAS number: 130307-08-3

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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: C11H15BrN2
Molecular weight: 255.2

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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, hydrogen bromide.

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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

制备方法与用途

用途

1-(4-溴苯基)-4-甲基哌嗪用作研究用化合物。

反应信息

• 作为反应物：
  描述：

  1-(4-溴苯基)-4-甲基哌嗪 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 N-甲基吗啉 、 盐酸 、 氯甲酸乙酯 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 5.0h， 生成 (1R,2R)-methyl 1-((S)-2-(tert-butoxycarbonylamino)-3-(furan-2-yl)propanamido)-2-(4'-(4-methylpiperazin-1-yl)biphenyl-4-yl)cyclopropanecarboxylate
  参考文献：
  名称：

  [EN] PEPTIDASE INHIBITORS
  [FR] INHIBITEURS DE PEPTIDASE

  摘要：

  公式(I)中的新化合物，其中R1、R2、D、A、B和X具有本文件中定义的含义，包含它们作为有效成分的药物组合物，以及它们在医学中的应用，特别是作为肽酶抑制剂，更具体地是用于治疗/预防炎症疾病的半胱氨酸和/或丝氨酸肽酶的抑制剂。

  公开号：

  WO2012130299A1
• 作为产物：
  描述：

  1-甲基-4-苯基哌嗪 在 溴 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 1-(4-溴苯基)-4-甲基哌嗪
  参考文献：
  名称：

  Benzofurans as suppressors of neurodegeneration

  摘要：

  该化合物的化学式为：其中R1和R2分别为H或可被取代的碳氢基团，或者R1和R2形成一个3至8个成员的碳氢或杂环环，该环可能被取代；R3为H，一个可被取代的低碳基或一个可被取代的芳香基；R4为(1)一个可被取代的芳香基，(2)一个被可被取代的芳香基取代的脂肪烃基，该烃基可能被进一步取代，或者(3)一个酰基；X和Y分别为氧或硫，可能被氧化；环A为一个苯环，可能被进一步取代，或者其盐，可用作抑制神经退化的药物。

  公开号：

  US07008950B1

文献信息

• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• HISTONE METHYLTRANSFERASE EZH2 INHIBITOR, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF
  申请人：ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD.

  公开号：US20190345139A1

  公开（公告）日：2019-11-14

  The invention relates to a histone methyltransferase EZH2 inhibitor, a preparation method and pharmaceutical use thereof. In particular, the invention relates to a compound represented by the general formula (I), a preparation method thereof, a pharmaceutical composition containing the same, and a use thereof as a histone methyltransferase EZH2 inhibitor for treating diseases associated with the histone methyltransferase EZH2, especially cancer. The definition of each substituents in the general formula (I) is same as the definition in the specification.

  这项发明涉及一种组蛋白甲基转移酶EZH2抑制剂，其制备方法和药用。具体而言，该发明涉及一种由通式（I）表示的化合物，其制备方法，含有该化合物的药物组合物，以及将其用作组蛋白甲基转移酶EZH2抑制剂治疗与组蛋白甲基转移酶EZH2相关的疾病，特别是癌症。通式（I）中每个取代基的定义与规范中的定义相同。
• [EN] TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES<br/>[FR] COMPOSÉS DE TÉTRAHYDROBENZOFURO[2,3-C]PYRIDINE ET DE BÊTA-CARBOLINE POUR LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION DE TROUBLES ASSOCIÉS À DES AGRÉGATS DE PROTÉINE TAU
  申请人：AC IMMUNE SA

  公开号：WO2019233883A1

  公开（公告）日：2019-12-12

  The present invention relates to novel compounds of formula (I) that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

  本发明涉及一种可以用于治疗、缓解或预防与Tau（微管相关单元）蛋白聚集相关的一组疾病和异常的新化合物（I）的公式。这些疾病和异常包括但不限于神经原纤维缠结（NFTs），如阿尔茨海默病（AD）。
• SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF
  申请人：Impact Therapeutics (Shanghai), Inc

  公开号：EP3567041A9

  公开（公告）日：2022-04-20

  The disclosure relates to substituted fused heteroaromatic compounds and the use thereof. Specifically, the disclosure provides compounds of the following Formula I: or a pharmaceutically acceptable salt or prodrug thereof, wherein A1-A4, B1-B3, D1-D4 and R1-R3 are defined herein. Compounds having Formula I are kinalse inhibitors. Therefore, compounds of the disclosure may be used to treat clinical conditions caused by DDR functional defects, such as cancer.

  本公开涉及取代的融合杂芳香化合物及其用途。具体而言，本公开提供了以下式I的化合物： 或其药用可接受的盐或前药，其中A1-A4、B1-B3、D1-D4和R1-R3如本文所述定义。具有式I的化合物是激酶抑制剂。因此，本公开的化合物可用于治疗由DDR功能缺陷引起的临床状况，如癌症。