4-溴-1-甲基-1H-吲唑 | 365427-30-1

• 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 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 4-溴-1-甲基-1H-吲唑
• 中文别名: 4-溴-1-甲基吲唑
• 英文名称: 4-bromo-1-methyl-1H-indazole
• 英文别名: 4-bromo-1-methylindazole
• CAS: 365427-30-1
• 化学式: C₈H₇BrN₂
• 分子量: 211.061
• InChiKey: AQUSISHVASVOBL-UHFFFAOYSA-N

物化性质

• 沸点：
  293.6±13.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2-8℃，请保持干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-1-methylindazole
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-1-methylindazole
CAS number: 365427-30-1

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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: C8H7BrN2
Molecular weight: 211.1

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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 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-1-甲基-1H-吲唑 在 palladium diacetate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 二苯甲酮亚胺 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 2.25h， 生成 1-甲基-1H-吲唑-4-氨基
  参考文献：
  名称：

  [EN] TRPV1 ANTAGONISTS
  [FR] ANTAGONISTES DE TRPV1

  摘要：

  本文披露了式（I）的化合物，或其药用可接受的盐、溶剂化合物、前药、前药的盐或它们的组合，其中R1、R2、R3、R4和m在规范中有定义。还披露了包含这种化合物的组合物以及使用这种化合物和组合物治疗疾病和疾病的方法。

  公开号：

  WO2010045402A1
• 作为产物：
  描述：

  间溴氟苯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 24.0h， 生成 4-溴-1-甲基-1H-吲唑
  参考文献：
  名称：

  JohnPhos Gold（I）催化剂的主题变化：具有类似结构的Ar和碳烯配合物

  摘要：

  已经制备并构造了结构与2-（二叔丁基膦基）联苯金（I）配合物密切相关的构型的和卡宾金（I）配合物。如所预测的，与它们的膦类似物相比，2-（二叔丁基ar）联苯金（I）络合物是更亲电的催化剂，而基于4-芳基吲唑的那些则与NHC-金（I）催化剂表现相似。

  DOI：

  10.1021/acs.organomet.8b00276

文献信息

• [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DE CALPAÏNE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：BLADE THERAPEUTICS INC

  公开号：WO2019190885A1

  公开（公告）日：2019-10-03

  Small molecule calpain modulator compounds, including their pharmaceutically acceptable salts, can be included in pharmaceutical compositions. The compounds can be useful in inhibiting calpain, or competitive binding with calpastatin, by contacting them with CAPN1, CAPN2, and/or CAPN9 enzymes residing inside a subject. The compounds and composition can also be administered to a subject in order to treat a fibrotic disease or a secondary disease state or condition of a fibrotic disease.

  小分子钙蛋白酶调节剂化合物，包括其药用可接受的盐，可以包含在药物组合物中。这些化合物可以通过与主体内的CAPN1、CAPN2和/或CAPN9酶接触来抑制钙蛋白酶，或与钙蛋白酶抑制剂竞争性结合。这些化合物和组合物也可以被用于治疗纤维化疾病或纤维化疾病的继发疾病状态或病情。
• COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES
  申请人：OxaluRx, Inc.

  公开号：US20210052586A1

  公开（公告）日：2021-02-25

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject are also provided.

  本文披露了用于调节甘醇酸氧化酶的化合物和组合物，用于治疗与草酸盐相关的疾病，如高草酸尿症，其中调节甘醇酸氧化酶预计对需要治疗的患者具有疗效。还提供了在人类或动物主体中调节甘醇酸氧化酶活性的方法。
• Monophosphine Ligands Promote Pd-Catalyzed C–S Cross-Coupling Reactions at Room Temperature with Soluble Bases
  作者：Jessica Xu、Richard Y. Liu、Charles S. Yeung、Stephen L. Buchwald

  DOI：10.1021/acscatal.9b01913

  日期：2019.7.5

  ligands, which were considered less likely to be displaced during the course of the reaction. We show that by using monophosphine ligands instead, more effective catalysis can be achieved. Notably, compared to previous methods, this increased reactivity allows for the use of much lower reaction temperature, soluble bases, and base-sensitive substrates. In contrast to conventional wisdom, our mechanistic

  Pd催化的硫醇与芳族亲电试剂的交叉偶联是合成芳基硫醚的可靠方法，芳基硫醚是制药和农业应用中的重要化合物。由于硫醇和硫醇盐与晚期过渡金属牢固结合，因此以前的研究集中在螯合双膦配体支持的催化剂上，认为在反应过程中双膦配体不太可能被置换。我们表明，通过使用单膦配体代替，可以实现更有效的催化作用。值得注意的是，与以前的方法相比，这种增加的反应性允许使用更低的反应温度，可溶的碱和对碱敏感的底物。与传统观点相反，我们的机理数据表明，硫醇对膦配体的取代程度首先是，
• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。
• Substituted phenylalkanoic acid derivatives and use thereof
  申请人：——

  公开号：US20040044258A1

  公开（公告）日：2004-03-04

  A compound represented by the formula (I) or a salt thereof: 1 wherein n represents an integer of 1 to 3, R represents an alkyl group having 3 to 8 carbon atoms, a group represented by the following formula: R 1 (CH 2 ) k — (wherein k represents 0 or an integer of 1 to 3; R 1 represents a saturated cyclic alkyl group having 3 to 7 carbon atoms or a saturated condensed cyclic alkyl group having 6 to 8 carbon atoms, and the group R 1 may be substituted with a lower alkyl group having 1 to 4 carbon atoms) and the like, and Ar represents a condensed bicyclic group such as naphthalen-1-yl group, which has suppressing action on prostaglandin and leukotriene production and is useful for prophylactic and/or therapeutic treatment of various inflammatory diseases and the like caused by these lipid mediators.

  化合物的化学式为（I）或其盐： 其中n表示1到3的整数，R表示具有3到8个碳原子的烷基基团，由以下化学式表示的基团：R1(CH2)k—（其中k表示0或1到3的整数；R1表示具有3到7个碳原子的饱和环烷基基团或具有6到8个碳原子的饱和紧凑环烷基基团，基团R1可以被具有1到4个碳原子的较低烷基基团取代）等，Ar表示如萘-1-基团等的紧凑双环基团，具有对前列腺素和白三烯生成的抑制作用，对由这些脂质介质引起的各种炎症性疾病等的预防和/或治疗治疗有用。