5-溴-1-甲基-1H-咪唑-2-甲醛 | 79326-88-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-溴-1-甲基-1H-咪唑-2-甲醛
• 英文名称: 5-bromo-1-methyl-1H-imidazole-2-carbaldehyde
• 英文别名: 5-bromo-1-methylimidazole-2-carbaldehyde
• CAS: 79326-88-8
• 化学式: C₅H₅BrN₂O
• 分子量: 189.011
• InChiKey: ZFUTWKQTEYLBKA-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80
• 沸点：
  317.0±34.0 °C(Predicted)
• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933290090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  应存放在2-8°C的环境中，避免光照，并保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
Synonyms: 5-Bromo-2-formyl-1-methyl-1H-imidazole

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
CAS number: 79326-88-8

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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.

---

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: C5H5BrN2O
Molecular weight: 189.0

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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.

---

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-溴-1-甲基-1H-咪唑-2-甲醛 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 1.0h， 以100%的产率得到(5-溴-1-甲基-1H-咪唑-2-基)甲醇
  参考文献：
  名称：

  CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS

  摘要：

  该披露涉及对PCSK9的抑制剂，用于治疗胆固醇脂质代谢以及其他PCSK9发挥作用的疾病，其化学式为(I)： 或其药用可接受的盐、水合物、溶剂合物、前药、立体异构体、N-氧化物或互变异构体，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、X1、X2和X3如本文所述。

  公开号：

  US20200164024A1
• 作为产物：
  描述：

  1-甲基-1H-咪唑-2-甲醛 、 N-溴代丁二酰亚胺(NBS) 、 disodium;carbonate 、 氯仿 以45%的产率得到
  参考文献：
  名称：

  BORAI, M. EL;MOUSTAFA, A. H.;ANWAR, M.;GHATTAS, A. G., CROAT. CHEM. ACTA, 1981, 54, N 2, 211-216

  摘要：

  DOI：

文献信息

• [EN] TARGETED PLASMA PROTEIN DEGRADATION<br/>[FR] DÉGRADATION CIBLÉE DE PROTÉINES DE PLASMA
  申请人：NOVARTIS AG

  公开号：WO2021156792A1

  公开（公告）日：2021-08-12

  The present invention is directed to the bifunctional compounds and the use of such bifunctional compounds to lower plasma levels of extracellular target molecules by lysosomal degradation. Such bifunctional compounds have a cell surface receptor ligand covalently linked to a ligand that is capable of binding to an extracellular target molecule (such as a ligand for a growth factor, a cytokine, a chemokine, a hormone, a neurotransmitter, a capsid, a soluble receptor, an extracellular secreted protein, an antibody, a lipoprotein, an exosome, a virus, a cell, or a plasma membrane protein), where the cell surface receptor is associated with receptor mediated endocytosis, including asialoglycoprotein receptor (ASGPR) mediated lysosomal degradation and mannose-6-phosphate (M6PR) mediated lysosomal degradation. Pharmaceutical compositions comprising such bifunctional compounds and methods of treating a disease or disorder mediated by an extracellular molecule using such bifunctional compounds are also provided herein.

  本发明涉及双功能化合物及利用这种双功能化合物通过溶酶体降解降低细胞外靶分子血浆水平的用途。这种双功能化合物具有与细胞表面受体配体共价连接的配体，该配体能够结合到细胞外靶分子（例如生长因子、细胞因子、趋化因子、激素、神经递质、外壳蛋白、可溶性受体、细胞外分泌蛋白、抗体、脂蛋白、外泌体、病毒、细胞或血浆膜蛋白的配体），其中细胞表面受体与受体介导的内吞作用相关联，包括以阿斯利康蛋白受体（ASGPR）介导的溶酶体降解和甘露糖-6-磷酸（M6PR）介导的溶酶体降解。本文还提供了包括这种双功能化合物的药物组合物以及利用这种双功能化合物治疗通过细胞外分子介导的疾病或紊乱的方法。
• イミダゾピリジノン化合物の製造方法
  申请人：キッセイ薬品工業株式会社

  公开号：JP2021143176A

  公开（公告）日：2021-09-24

  【課題】炎症性腸疾患（IBD）の治療剤として有用なイミダゾピリジノン化合物の新規な製造方法を提供する。【解決手段】例えば、下記に示されるイミダゾピリジノン化合物の合成方法であって、3位に、Ｎを保護された3-ピロリジノ基を有する、2-オキソ-2,3-ジヒドロ-1H-イミダゾ[4,5-b]ピリジンの1位に所望の置換基を導入した後、3位置換基を脱保護し、更にピロリジノ基のＮに所望の置換基を導入する方法を含む、イミダゾピリジノン化合物の製造方法である。【選択図】なし

  【课题】提供一种新型制造方法，用于生产作为炎症性肠病（IBD）治疗剂的有用的咪唑并吡啶酮化合物。【解决方法】例如，一种咪唑并吡啶酮化合物的合成方法，该方法包括在2-氧代-2,3-二氢-1H-咪唑并[4,5-b]吡啶的1位引入所需的取代基后，其3位具有N保护的3-吡咯烷基，然后脱去3位取代基的保护，并进一步在吡咯烷基的N上引入所需的取代基。【选择图】无。
• イミダゾピリジノン化合物を含む医薬組成物
  申请人：キッセイ薬品工業株式会社

  公开号：JP2021143175A

  公开（公告）日：2021-09-24

  【課題】潰瘍性大腸炎等の炎症性腸疾患の治療剤として有用な化合物、それを含む医薬組成物を提供する。【解決手段】下記式（Ｉ）で表されるイミダゾピリジノン化合物又はその薬理学的に許容される塩を含む医薬組成物医薬組成物を提供する。【選択図】なし

  【课题】提供一种作为治疗溃疡性大肠炎等炎症性肠病的药物有用的化合物，以及包含该化合物的医药组合物。【解决方法】提供包含下述式（I）表示的咪唑并吡啶酮化合物或其药理学上可接受的盐的医药组合物。【选择图】无。
• [EN] PHARMACOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSÉS PHARMACOLOGIQUEMENT ACTIFS
  申请人：CANCER REC TECH LTD

  公开号：WO2014037751A1

  公开（公告）日：2014-03-13

  The present invention relates to compounds of formula (II) wherein X, Y, R2, R3, R4 and Ar are all as defined herein. The compounds of the present invention are known to inhibit the spindle checkpoint function of Monospindle 1 (Mps1 – also known as TTK) kinases either directly or indirectly via interaction with the Mps1 kinase itself. In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式（II）的化合物，其中X、Y、R2、R3、R4和Ar均如本文所定义。本发明的化合物已知能够通过直接或间接与Mps1激酶相互作用来抑制单丝粒体1（Mps1-也被称为TTK）激酶的纺锤体检查点功能。具体地，本发明涉及将这些化合物用作治疗和/或预防增生性疾病，如癌症的治疗剂。本发明还涉及这些化合物的制备方法，以及包含它们的药物组合物。
• [EN] HETEROCYCLIC GLP-1 AGONISTS<br/>[FR] AGONISTES HÉTÉROCYCLIQUES DE GLP-1
  申请人：GASHERBRUM BIO INC

  公开号：WO2022028572A1

  公开（公告）日：2022-02-10

  This disclosure relates to GLP-1 agonists of Formula (I), including pharmaceutically acceptable salts and solvates thereof, and pharmaceutical compositions including the same.

  这项披露涉及到Formula (I)的GLP-1激动剂，包括其药用可接受的盐和溶剂化合物，以及包括这些化合物的药物组合物。