1-(呋喃并[3,2-b]吡啶-6-基)乙酮 | 1203499-00-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡啶类
• 中文名称: 1-(呋喃并[3,2-b]吡啶-6-基)乙酮
• 中文别名: 1-(呋喃[3,2-b]吡啶-6-基)乙酮
• 英文名称: 1-{furo[3,2-b]pyridin-6-yl}ethan-1-one
• 英文别名: 1-{furo[3,2-b]pyridine-6-yl}ethan-1-one；1-(Furo[3,2-b]pyridin-6-yl)ethanone；1-furo[3,2-b]pyridin-6-ylethanone
• CAS: 1203499-00-6
• 化学式: C₉H₇NO₂
• mdl: MFCD13563103
• 分子量: 161.16
• InChiKey: IYGXFOJTFQFSMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3
• 危险标志：
  GHS07
• 危险性描述：
  H302
• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(Furo[3,2-b]pyridin-6-yl)ethanone
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: 1-(Furo[3,2-b]pyridin-6-yl)ethanone
CAS number: 1203499-00-6

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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.

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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: C9H7NO2
Molecular weight: 161.2

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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：

  1-(呋喃并[3,2-b]吡啶-6-基)乙酮 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以99%的产率得到6-­acetylfuro[3,2-­b]pyridine 4-­oxide
  参考文献：
  名称：

  稠合杂环氮氧化物的区域选择性溴化

  摘要：

  提出了一种用于稠合吖嗪N-氧化物的区域选择性 C2-溴化的温和方法，采用对苯二甲酸酐作为活化剂，四正丁基溴化铵作为亲核溴化物源。在大多数情况下，C2 溴化化合物的产率中等至极好，并且具有极好的区域选择性。还介绍了该方法可能扩展到其他卤素，使用 Ts 2 O/TBACl影响 C2 氯化。最后，该方法可以结合到可行的一锅氧化/溴化过程中，使用甲基三氧铼/尿素过氧化氢作为氧化剂。

  DOI：

  10.1021/ol3034675
• 作为产物：
  描述：

  6-溴呋喃并[3,2-b]吡啶 、 三丁基(1-乙氧基乙烯)锡 在 bis-triphenylphosphine-palladium(II) chloride 、 盐酸 、 水 作用下， 以 甲苯 为溶剂， 反应 21.0h， 以63%的产率得到1-(呋喃并[3,2-b]吡啶-6-基)乙酮
  参考文献：
  名称：

  [EN] OGA INHIBITOR COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS D'OGA

  摘要：

  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。

  公开号：

  WO2019243528A1

文献信息

• sGC Stimulators
  申请人：Kim Charles

  公开号：US20120184516A1

  公开（公告）日：2012-07-19

  Compounds of Formula I are described. They are useful as stimulators of sGC, particularly NO-independent, heme-dependent stimulators. These compounds may be useful for treating, preventing or managing various disorders that are herein disclosed.

  描述了化学式I的化合物。它们可用作sGC的刺激剂，特别是NO独立的、血红素依赖性的刺激剂。这些化合物可能有助于治疗、预防或管理本文中披露的各种疾病。
• sGC STIMULATORS
  申请人：Ironwood Pharmaceuticals Inc.

  公开号：US20140323448A1

  公开（公告）日：2014-10-30

  Compounds of Formula I are described. They are useful as stimulators of sGC, particularly NO-independent, heme-dependent stimulators. These compounds may be useful for treating, preventing or managing various disorders that are herein disclosed.

  本文描述了公式I的化合物。它们可用作sGC的刺激剂，特别是NO非依赖性、血红素依赖性刺激剂。这些化合物可能有助于治疗、预防或管理本文中披露的各种疾病。
• SGC stimulators
  申请人：Ironwood Pharmaceuticals, Inc.

  公开号：US10189809B2

  公开（公告）日：2019-01-29

  Compounds of Formula I are described. They are useful as stimulators of sGC, particularly NO-independent, heme-dependent stimulators. These compounds may be useful for treating, preventing or managing various disorders that are herein disclosed.

  描述了式 I 的化合物。它们可作为 sGC 的刺激剂，尤其是 NO 依赖性血红素刺激剂。这些化合物可用于治疗、预防或控制本文公开的各种疾病。
• SGC STIMULATORS
  申请人：Ironwood Pharmaceuticals, Inc.

  公开号：EP2588465A1

  公开（公告）日：2013-05-08
• OGA INHIBITOR COMPOUNDS
  申请人：Janssen Pharmaceutica NV

  公开号：US20210115040A1

  公开（公告）日：2021-04-22

  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 C9ORF72 mutations.