6-溴-2-甲基噁唑并[4,5-B]吡啶 | 494747-09-0

• 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 - 恶唑并吡啶类
• 中文名称: 6-溴-2-甲基噁唑并[4,5-B]吡啶
• 英文名称: 6-bromo-2-methyl-oxazolo[4,5-b]pyridine
• 英文别名: 6-Bromo-2-methyloxazolo[4,5-b]pyridine；6-bromo-2-methyl-[1,3]oxazolo[4,5-b]pyridine
• CAS: 494747-09-0
• 化学式: C₇H₅BrN₂O
• 分子量: 213.033
• InChiKey: WMFQSNQAZSEQQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Bromo-2-methyloxazolo[4,5-b]pyridine
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: 6-Bromo-2-methyloxazolo[4,5-b]pyridine
CAS number: 494747-09-0

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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, under −20◦C.
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: C7H5BrN2O
Molecular weight: 213.0

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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

制备方法与用途

该化合物**6-溴-2-甲基噁唑并[4,5-B]吡啶**主要用于科研领域。

反应信息

• 作为反应物：
  描述：

  6-溴-2-甲基噁唑并[4,5-B]吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 20.0h， 生成 2-methyloxazolo[4,5-b]pyridin-6-amine
  参考文献：
  名称：

  [EN] HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS
  [FR] DÉRIVÉS HÉTÉROCYCLIQUES DESTINÉS AU TRAITEMENT DE LA FIBROSE KYSTIQUE

  摘要：

  本发明涉及式（I）的化合物或其药用可接受的盐或溶剂：还披露了包含式（I）的化合物的药物组合物及其用途，特别是用于调节CFTR蛋白或ABC蛋白的活性。

  公开号：

  WO2018167690A1
• 作为产物：
  描述：

  2-氨基-6-溴-3-羟基吡啶 、 原乙酸三乙酯 在 对甲苯磺酸 作用下， 反应 1.0h， 生成 6-溴-2-甲基噁唑并[4,5-B]吡啶
  参考文献：
  名称：

  WO2007/45622

  摘要：

  公开号：

文献信息

• [EN] AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'AMINOPYRIDINE UTILISÉS EN TANT QU'INHIBITEURS DE LA PHOSPHATIDYLINOSITOL PHOSPHATE KINASE
  申请人：PETRA PHARMA CORP

  公开号：WO2019126731A1

  公开（公告）日：2019-06-27

  The invention relates to inhibitors of PI5P4K inhibitors useful in the treatment of cancers, neurodegenerative diseases, inflammatory disorders, and metabolic diseases, having the Formula: (I) where A, B, R1, X1, X2, and W are described herein.

  这项发明涉及PI5P4K抑制剂，用于治疗癌症、神经退行性疾病、炎症性疾病和代谢性疾病，其化学式为：(I)，其中A、B、R1、X1、X2和W如本文所述。
• [EN] OGA INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS D'OGA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243528A1

  公开（公告）日：2019-12-26

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C90RF72 mutations.

  本发明涉及O-GlcNAc水解酶（OGA）抑制剂。该发明还涉及包含这类化合物的药物组合物，制备这类化合物和组合物的方法，以及利用这类化合物和组合物预防和治疗抑制OGA有益的疾病的用途，例如tau病变，特别是阿尔茨海默病或进行性上行性麻痹; 以及伴有tau病理的神经退行性疾病，特别是由C90RF72突变引起的肌萎缩性侧索硬化或额颞叶痴呆。
• [EN] PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLE POUR LE TRAITEMENT DE LA FIBROSE KYSTIQUE
  申请人：FONDAZIONE ST ITALIANO TECNOLOGIA

  公开号：WO2018167695A1

  公开（公告）日：2018-09-20

  The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof. It further discloses a pharmaceutical composition comprising the compounds of Formula (I) and their uses, in particular to modulate CFTR protein or ABC protein activities.

  本发明涉及式（I）化合物或其药用可接受的盐或溶剂。还披露了包括式（I）化合物的药物组合物及其用途，特别是用于调节CFTR蛋白或ABC蛋白的活性。
• NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE
  申请人：ITEOS THERAPEUTICS

  公开号：US20150225367A1

  公开（公告）日：2015-08-13

  The present invention relates to compound of Formula I or pharmaceutically acceptable enantiomers, salts or solvates thereof. The invention further relates to the use of the compounds of Formula I as TDO2 inhibitors. The invention also relates to the use of the compounds of Formula I for the treatment and/or prevention of cancer, neurodegenerative disorders such as Parkinson's disease, Alzheimer's disease and Huntington's disease, chronic viral infections such as HCV and HIV, depression, and obesity. The invention also relates to a process for manufacturing compounds of Formula I.

  本发明涉及公式I的化合物或其药用可接受的对映体、盐或溶剂化物。该发明进一步涉及将公式I的化合物用作TDO2抑制剂。该发明还涉及将公式I的化合物用于治疗和/或预防癌症、帕金森病、阿尔茨海默病和亨廷顿病等神经退行性疾病、慢性病毒感染如HCV和HIV、抑郁症以及肥胖症。该发明还涉及一种制造公式I化合物的方法。
• Discovery of Selective Inhibitors for <i>In Vitro</i> and <i>In Vivo</i> Interrogation of Skeletal Myosin II
  作者：Laszlo Radnai、Matthew Surman、Madalyn Hafenbreidel、Erica J. Young、Rebecca F. Stremel、Li Lin、Bilel Bdiri、Paolo Pasetto、Xiaomin Jin、Mackenzie Geedy、Joni-Rae Partridge、Aagam Patel、Michael Conlon、James R. Sellers、Michael D. Cameron、Gavin Rumbaugh、Patrick R. Griffin、Theodore M. Kamenecka、Courtney A. Miller

  DOI：10.1021/acschembio.1c00067

  日期：2021.11.19

  the discovery, synthesis, and characterization of “skeletostatins,” novel derivatives of the pan-myosin II inhibitor blebbistatin, with selectivity 40- to 170-fold for SkMII over all other myosin II family members. In addition, the skeletostatins bear improved potency, solubility, and photostability, without cytotoxicity. Based on its optimal in vitro profile, MT-134’s in vivo tolerability, efficacy

  肌球蛋白 II 是一种基于肌动蛋白的马达，它利用 5'-三磷酸腺苷 (ATP) 的化学能产生力量，具有作为治疗靶点的潜力。它们的重链将该家族区分为肌肉（骨骼 [SkMII]、心脏、平滑肌）和非肌肉肌球蛋白 II。尽管肌肉疾病具有治疗潜力，但尚未报道和表征 SkMII 特异性抑制剂。在这里，我们介绍了“skeletostatins”的发现、合成和表征，这是泛肌球蛋白 II 抑制剂 blebbistatin 的新型衍生物，对 SkMII 的选择性比所有其他肌球蛋白 II 家族成员高 40 到 170 倍。此外，skeletostatins 具有改进的效力、溶解度和光稳定性，而没有细胞毒性。基于其最佳的体外特性，MT-134 的体内确定了耐受性、疗效和药代动力学。MT-134 在小鼠中耐受性良好，运动性能受损，并且在肌肉中具有出色的暴露性。Skeletostatins 是基础研究的有用探针，也是药物开发的重要起点。