5-氨基-2-甲基苯并咪唑 | 29043-48-9

• 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 - 苯并咪唑类
• 中文名称: 5-氨基-2-甲基苯并咪唑
• 中文别名: 2-甲基-6-氨基苯并咪唑；2-甲基-(9ci)-1H-苯并咪唑-5-胺；2-甲基-1H-苯并咪唑-5-胺；2-氨基-2-甲基苯并咪唑；2-甲基-5-氨基苯并咪唑
• 英文名称: 5-amino-2-methylbenzimidazole
• 英文别名: 2-methyl-1H-benzo[d]imidazol-5-amine；5-Amino-2-methyl-benzimidazol；2-methyl-3H-benzimidazol-5-amine
• CAS: 29043-48-9
• 化学式: C₈H₉N₃
• mdl: MFCD00465255
• 分子量: 147.18
• InChiKey: UJYKXBDYOPPOCY-UHFFFAOYSA-N

物化性质

• 熔点：
  95℃
• 沸点：
  441.1±18.0 °C(Predicted)
• 密度：
  1.295

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放在室温、干燥且密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methyl-1h-benzoimidazol-5-ylamine
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: 2-Methyl-1h-benzoimidazol-5-ylamine
CAS number: 29043-48-9

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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, 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: C8H9N3
Molecular weight: 147.2

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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.

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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：

  5-氨基-2-甲基苯并咪唑 在 镍 氢气 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 N¹-(2-Methyl-1H-benzoimidazol-5-yl)-benzene-1,2,4-triamine
  参考文献：
  名称：

  Abuzar, Syed; Sharma, Satyavan; Iyer, R. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 7, p. 599 - 600

  摘要：

  DOI：
• 作为产物：
  描述：

  邻苯二胺 在 盐酸 、 tin(II) chloride dihdyrate 、 硫酸 、 potassium nitrate 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 22.08h， 生成 5-氨基-2-甲基苯并咪唑
  参考文献：
  名称：

  Combinatorial Synthesis of Benzimidazole-Azo-Phenol Derivatives as Antifungal Agents

  摘要：

  一库化学多样性的苯并咪唑-偶氮-酚衍生物被高效制备并筛选其对五种植物病原真菌的抗真菌活性。某些化合物表现出强效的抗真菌活性。与市售的农业真菌剂氟氨唑相比，尤其是化合物V-5展示了对五种植物病原真菌最具前景的广谱抗真菌活性。V-5对F. graminearum、A. solani、V. mali、B. cinerea和C. lunata的EC50值分别为0.09、0.08、0.06、0.07和0.11 μmol/mL。

  DOI：

  10.2174/13862073113166660058

文献信息

• Simple and chemoselective reduction of aromatic nitro compounds to aromatic amines: reduction with hydriodic acid revisited
  作者：J.S.Dileep Kumar、ManKit M Ho、Tatsushi Toyokuni

  DOI：10.1016/s0040-4039(01)01083-8

  日期：2001.8

  Reduction of aromatic nitro compounds to amines with hydriodic acid was reinvestigated. Under a milder non-refluxing condition (at 90°C for 2–4 h), the reduction proceeded efficiently with excellent chemoselectivity without affecting other functional groups including nitrile, ester, halide, carbonyl, amide, sulfonamide, imidazole and methylthio groups.

  重新研究了用氢碘酸将芳香族硝基化合物还原为胺。在温和的非回流条件下（在90°C下持续2-4 h），还原反应有效地进行，具有出色的化学选择性，而不会影响其他官能团，包括腈，酯，卤化物，羰基，酰胺，磺酰胺，咪唑和甲硫基。
• [EN] BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS D'ARYLMONOBACTAME BICYCLIQUES ET LEURS MÉTHODES D'UTILISATION POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：MERCK SHARP & DOHME

  公开号：WO2017155765A1

  公开（公告）日：2017-09-14

  The present invention relates to bicyclic aryl monobactam compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein A1, L, M, W, X, Y, Z, RX and Rz are as defined herein. The present invention also relates to compositions which comprise a bicyclic aryl monobactam compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The invention further relates to methods for treating a bacterial infection comprising administering to the patient a therapeutically effective amount of a compound of the invention, either alone or in combination with a therapeutically effective amount of one or more beta-lactamase inhibitor compounds.

  本发明涉及公式（I）的双环芳基单β内酰胺化合物及其药学上可接受的盐，其中A1、L、M、W、X、Y、Z、RX和Rz如本文所定义。本发明还涉及包含本发明的双环芳基单β内酰胺化合物或其药学上可接受的盐以及药学上可接受的载体的组合物。该发明还涉及治疗细菌感染的方法，包括向患者施用本发明化合物的治疗有效量，单独或与一种或多种β-内酰胺酶抑制剂化合物的治疗有效量结合使用。
• [EN] 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE 5-SULFAMOYL-2-HYDROXYBENZAMIDE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017153952A1

  公开（公告）日：2017-09-14

  The invention is directed to substituted salicylamide derivatives. Specifically, the invention is directed to compounds according to Formula (I): wherein R, R1 and R2 are as defined herein, or a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, the treatment of HIV, autoimmune diseases, infections, atherosclerosis, and ischemia–reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代水杨酰胺衍生物。具体而言，本发明涉及根据公式(I)的化合物：其中R、R1和R2如本文所述，或其药用可接受的盐。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌症综合症以及与CD73抑制相关的疾病，例如艾滋病、治疗HIV、自身免疫疾病、感染、动脉粥样硬化和缺血再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制CD73活性和治疗与之相关的疾病的方法。
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2021155264A1

  公开（公告）日：2021-08-05

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。