4-溴-1H-吲唑-6-羧酸 | 885523-43-3

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-1H-吲唑-6-羧酸
• 中文别名: 4-溴-吲唑-6-甲酸
• 英文名称: 4-bromo-1H-indazole-6-carboxylic acid
• CAS: 885523-43-3
• 化学式: C₈H₅BrN₂O₂
• 分子量: 241.044
• InChiKey: PTPANGLJLZZYNH-UHFFFAOYSA-N

物化性质

• 密度：
  1.946

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  66
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-6-(1H)-indazole carboxylic acid
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: 4-Bromo-6-(1H)-indazole carboxylic acid
CAS number: 885523-43-3

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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, refrigerated.
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: C8H5BrN2O2
Molecular weight: 241.0

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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

反应信息

• 作为反应物：
  描述：

  4-溴-1H-吲唑-6-羧酸 在 氯化亚砜 、 碘苯二乙酸 、 potassium hydroxide 作用下， 反应 4.0h， 生成 methyl (4-bromo-1H-indazol-6-yl)carbamate
  参考文献：
  名称：

  Synthesis of substituted 4-(1H-indol-6-yl)-1H-indazoles as potential PDK1 inhibitors

  摘要：

  The development of a preparative route to a series of novel 4-(1H-indo1-6-y1)-1H-indazole compounds as potential PDK1 inhibitors is described. The synthetic strategy centres on the late-stage Suzuki cross coupling of N-unprotected indazole and indole fragments. The use of a monoligated palladium catalyst system was found to be highly beneficial in the cross-coupling reaction. The indazole and indole fragments were constructed by diazotisation/cyclisation and SNAr/reductive cyclisation sequences, respectively. Crown Copyright (c) 2013 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.11.054
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲酸 在 氯化亚砜 、 水 、 铁粉 、 溶剂黄146 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 硫酸 为溶剂， 反应 56.0h， 生成 4-溴-1H-吲唑-6-羧酸
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSÉS ET COMPOSITIONS COMME INHIBITEURS DE PROTÉINES KINASES

  摘要：

  这项发明提供了一类新型化合物，包括这种化合物的药物组合物以及使用这种化合物来治疗或预防与异常或失调的激酶活性相关的疾病或紊乱的方法，特别是涉及Flt3、PDGFR、PDGFR、c-KIT、VEGFR1、VEGFR2、VEGFR3、c-RAF、AbI、Bcr-Abl、Aurora-A、AxI、BMX、CHK2、CSR0、Fes、FGFRi、FGFR3、IKKa、IR、JNK2a2、Lck、Met、MKK6、MST2、p70S6K、PKA、PKD2、ROCK-II、Ros、Rskl、SAPK2a、SAPK2ss、SAPK3、SAPK4、Syk、Tie2、TrkA和/或TrkB激酶的异常激活的疾病或紊乱。

  公开号：

  WO2011038579A1

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS ET COMPOSITIONS COMME INHIBITEURS DE PROTÉINES KINASES
  申请人：ZHEJIANG BETA PHARMA INC

  公开号：WO2011038579A1

  公开（公告）日：2011-04-07

  The invention provides a novel class of compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated kinase activity, particularly diseases or disorders that involve abnormal activation of the Flt3, PDGFR, PDGFR, c-KIT, VEGFR1, VEGFR2, VEGFR3, c- RAF, AbI, Bcr-Abl, Aurora- A, AxI, BMX, CHK2, CSR0, Fes, FGFRi, FGFR3, IKKa, IR, JNK2a2, Lck, Met, MKK6, MST2, p70S6K, PKA, PKD2, ROCK-II, Ros, Rskl, SAPK2a, SAPK2ss, SAPK3 SAPK4, Syk, Tie2, TrkA and/or TrkB Kinases.

  这项发明提供了一类新型化合物，包括这种化合物的药物组合物以及使用这种化合物来治疗或预防与异常或失调的激酶活性相关的疾病或紊乱的方法，特别是涉及Flt3、PDGFR、PDGFR、c-KIT、VEGFR1、VEGFR2、VEGFR3、c-RAF、AbI、Bcr-Abl、Aurora-A、AxI、BMX、CHK2、CSR0、Fes、FGFRi、FGFR3、IKKa、IR、JNK2a2、Lck、Met、MKK6、MST2、p70S6K、PKA、PKD2、ROCK-II、Ros、Rskl、SAPK2a、SAPK2ss、SAPK3、SAPK4、Syk、Tie2、TrkA和/或TrkB激酶的异常激活的疾病或紊乱。
• INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER
  申请人：Pauls Heinz W.

  公开号：US20110065702A1

  公开（公告）日：2011-03-17

  The present invention is directed to a compound is represented by Structural Formula (A):or a pharmaceutically acceptable salt therof. The present invention is also directed to a pharmaceutical composition comprising a compound represented by Structural Formula (A) described above or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier or diluent. Also disclosed is a method of treating a subject having cancer, wherein the method comprises administering a therapeutically effective amount of a compound represented by Structural Formula (A) described above or a pharmaceutically acceptable salt thereof.

  本发明涉及一种化合物，其结构式表示为(A)或其药学上可接受的盐。本发明还涉及一种药物组合物，包括上述结构式(A)所表示的化合物或其药学上可接受的盐，以及药学上可接受的载体或稀释剂。本发明还揭示了一种治疗患有癌症的受试者的方法，其中该方法包括给予上述结构式(A)所表示的化合物或其药学上可接受的盐的治疗有效量。
• Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer
  申请人：Pauls Heinz W.

  公开号：US08765748B2

  公开（公告）日：2014-07-01

  The present invention is directed to a compound is represented by Structural Formula (A): or a pharmaceutically acceptable salt thereof. The present invention is also directed to a pharmaceutical composition comprising a compound represented by Structural Formula (A) described above or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier or diluent. Also disclosed is a method of treating a subject having cancer, wherein the method comprises administering a therapeutically effective amount of a compound represented by Structural Formula (A) described above or a pharmaceutically acceptable salt thereof.

  本发明涉及一种由结构式（A）表示的化合物或其药学上可接受的盐。本发明还涉及一种药物组合物，包括上述结构式（A）表示的化合物或其药学上可接受的盐，以及药学上可接受的载体或稀释剂。本发明还揭示了一种治疗癌症患者的方法，其中该方法包括给予上述结构式（A）表示的化合物或其药学上可接受的盐的治疗有效量。
• SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF
  申请人：Genfleet Therapeutics (Shanghai) Inc.

  公开号：EP3943488A1

  公开（公告）日：2022-01-26

  Provided are a substituted heterocyclic amide compound having a selective inhibitory effect on RIPK1, and a pharmaceutically acceptable salt, a stereoisomer, a solvate or a prodrug thereof, and a pharmaceutical composition containing the compound, and the use of same in the preparation of a drug for treating a RIPK1-related diseases or conditions.

  本发明提供了一种对 RIPK1 具有选择性抑制作用的取代杂环酰胺化合物及其药学上可接受的盐、立体异构体、溶液或原药，以及含有该化合物的药物组合物，并提供了其在制备治疗 RIPK1 相关疾病或病症的药物中的用途。
• Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors
  申请人：BioCryst Pharmaceuticals, Inc.

  公开号：US11021458B2

  公开（公告）日：2021-06-01

  Disclosed are compounds of formulae I and II, and pharmaceutically acceptable salts and prodrugs thereof, which are inhibitors of the complement system. Also provided are pharmaceutical compositions comprising such a compound, and methods of using the compounds and compositions in the treatment or prevention of a disease or condition characterized by aberrant complement system activity.

  公开了式 I 和 II 的化合物及其药学上可接受的盐和原药，它们是补体系统的抑制剂。还提供了包含此类化合物的药物组合物，以及使用这些化合物和组合物治疗或预防以补体系统活性异常为特征的疾病或病症的方法。