5-溴-2-(4-甲氧基苄氧基)吡啶 | 663955-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5-溴-2-(4-甲氧基苄氧基)吡啶
• 英文名称: 5-bromo-2-({[4-(methyloxy)phenyl]methyl}oxy)pyridine
• 英文别名: 5-bromo-2-[ (4-methoxybenzyl) oxy] pyridine；5-bromo-2-[(4-methoxybenzyl)oxy]pyridine；5-Bromo-2-((4-methoxybenzyl)oxy)pyridine；5-bromo-2-[(4-methoxyphenyl)methoxy]pyridine
• CAS: 663955-79-1
• 化学式: C₁₃H₁₂BrNO₂
• 分子量: 294.148
• InChiKey: NCWXAIKSFAEBJX-UHFFFAOYSA-N

物化性质

• 熔点：
  76-78°C
• 沸点：
  371.4±32.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-(4-methoxybenzyloxy)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: 5-Bromo-2-(4-methoxybenzyloxy)pyridine
CAS number: 663955-79-1

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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.
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: C13H12BrNO2
Molecular weight: 294.1

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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：

  5-溴-2-(4-甲氧基苄氧基)吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 三氟乙酸 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.0h， 生成 tert-butyl N-ethyl-N-[5-fluoro-3-[(3R)-3-[[6-[(4-methoxyphenyl)methoxy]-3-pyridyl]amino]-1-piperidyl]-3-methyl-2-oxoindolin-7-yl]carbamate
  参考文献：
  名称：

  [EN] OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER
  [FR] COMPOSÉ D'OXOINDOLINE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES OU DU CANCER

  摘要：

  The present invention relates to compounds of formula (I) wherein R1to R3, A1to A3and n are as described herein, and their pharmaceutically acceptable salt thereof, and compositions including the compounds and methods of using the compounds.

  公开号：

  WO2022243346A1
• 作为产物：
  描述：

  2,5-二溴吡啶 、 4-甲氧基苄醇 在 title compound 、 EtOAc hexanes 作用下， 反应 1.5h， 生成 5-溴-2-(4-甲氧基苄氧基)吡啶
  参考文献：
  名称：

  Benzonitryl and nitrobenzyl derivatives that modulate androgen receptors

  摘要：

  本发明涉及苯甲腈和硝基苯甲基衍生物，它们是雄激素、糖皮质激素、矿物质皮质激素和孕激素受体的调节剂，并且还涉及制备和使用这种化合物的方法。例如，这些化合物在治疗或预防对选择性雄激素受体调节有反应的疾病或疾病方面是有用的。

  公开号：

  US07834063B2

文献信息

• NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：US20190023657A1

  公开（公告）日：2019-01-24

  The present invention aims to provide a compound having a TrkA inhibitory action, a pharmaceutically acceptable salt thereof, or a solvate thereof, a pharmaceutical composition containing the same as an active ingredient, and a preventive and/or therapeutic agent for medicinal use, in particular for a disease in which TrkA in involved (pain, cancers, inflammation/inflammatory diseases, allergic diseases, skin diseases, neurodegenerative diseases, infectious diseases, Sjogren's syndrome, endometriosis, renal diseases, osteoporosis, and the like). Specifically, the present invention provides a compound or an optical isomer thereof, a pharmaceutically acceptable salt thereof, a solvate thereof, or the like, the compound represented by formula (I):

  本发明旨在提供一种具有TrkA抑制作用的化合物，其药学上可接受的盐或其溶剂合物，以及含有其作为活性成分的药物组合物，特别用于TrkA参与的疾病（疼痛、癌症、炎症/炎症性疾病、过敏疾病、皮肤疾病、神经退行性疾病、传染病、干燥综合征、子宫内膜异位症、肾脏疾病、骨质疏松症等）的预防和/或治疗剂。具体地，本发明提供一种化合物或其光学异构体，其药学上可接受的盐、其溶剂合物或类似物，该化合物由式（I）表示：
• [EN] 2-AMINOPYRIMIDINE DERIVATIVES AS ADENOSINE A1 AND A2A RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE 2-AMINOPYRIMIDINE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS A2A ET A1 DE L'ADENOSINE
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2004016605A1

  公开（公告）日：2004-02-26

  An aminopyrimidine compound of the following formula (I). Wherein R1 is hydrogen, lower alkyl, cyclo(lower)alkyl which may be interrupted by an oxygen atom or aryl(lower)alkyl, R2 is hydrogen, halogen, hydroxy, lower alkyl, lower alkoxy, amino (lower)alkoxy or pyperidinyloxy, R3 is hydrogen, hydroxy, lower alkyl or lower alkoxy, and R4 and R5 are each hydrogen, lower alkyl or acyl, or a salt thereof. The aminopyrimidine compound (I) and salt thereof of the present invention are adenosine antagonists and are useful for the prevention and/or treatment of depression, dementia (e.g. Alzheimer's disease, cerebrovascular dementia, dementia accompanying Parkinson's disease, etc.), Parkinson's disease, anxiety, pain, cerebrovascular disease (e.g. stroke, etc.), heart failure and the like

  以下是化学式（I）的氨基嘧啶化合物。其中，R1是氢、低碳基、环（低）烷基，可以被氧原子或芳基（低）烷基中断，R2是氢、卤素、羟基、低碳基、低烷氧基、氨基（低）烷氧基或吡啶氧基，R3是氢、羟基、低碳基或低烷氧基，R4和R5分别是氢、低碳基或酰基，或其盐。本发明的氨基嘧啶化合物（I）及其盐是腺苷拮抗剂，可用于预防和/或治疗抑郁症、痴呆症（例如阿尔茨海默病、脑血管痴呆、帕金森病伴随的痴呆等）、帕金森病、焦虑症、疼痛、脑血管疾病（例如中风等）、心力衰竭等。
• Chemical Compounds
  申请人：Turnbull Philip Stewart

  公开号：US20080255124A1

  公开（公告）日：2008-10-16

  This invention relates to non-steroidal compounds that are modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors, and also to the methods for the making and use of such compounds.

  本发明涉及一种非类固醇化合物，可调节雄激素、糖皮质激素、矿物质皮质激素和孕激素受体，并涉及制备和使用这种化合物的方法。
• NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVES
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：EP3617195A1

  公开（公告）日：2020-03-04

  The present invention aims to provide a compound having a TrkA inhibitory action, a pharmaceutically acceptable salt thereof, or a solvate thereof, a pharmaceutical composition containing the same as an active ingredient, and a preventive and/or therapeutic agent for medicinal use, in particular for a disease in which TrkA in involved (pain, cancers, inflammation/inflammatory diseases, allergic diseases, skin diseases, neurodegenerative diseases, infectious diseases, Sjogren's syndrome, endometriosis, renal diseases, osteoporosis, and the like). Specifically, the present invention provides a compound or an optical isomer thereof, a pharmaceutically acceptable salt thereof, a solvate thereof, or the like, the compound represented by formula (I):

  本发明的目的是提供一种具有TrkA抑制作用的化合物、其药学上可接受的盐或其溶液剂、含有其作为活性成分的药物组合物，以及用于医疗用途的预防和/或治疗剂，特别是用于TrkA参与的疾病（疼痛、癌症、炎症/炎症性疾病、过敏性疾病、皮肤病、神经退行性疾病、传染性疾病、Sjogren综合征、子宫内膜异位症、肾脏疾病、骨质疏松症等）。具体而言，本发明提供了一种由式（I）表示的化合物或其光学异构体、其药学上可接受的盐、其溶液或类似物：
• Tetrahydronaphthyl urea derivative
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：US10399945B2

  公开（公告）日：2019-09-03

  The present invention aims to provide a compound having a TrkA inhibitory action, a pharmaceutically acceptable salt thereof, or a solvate thereof, a pharmaceutical composition containing the same as an active ingredient, and a preventive and/or therapeutic agent for medicinal use, in particular for a disease in which TrkA in involved (pain, cancers, inflammation/inflammatory diseases, allergic diseases, skin diseases, neurodegenerative diseases, infectious diseases, Sjogren's syndrome, endometriosis, renal diseases, osteoporosis, and the like). Specifically, the present invention provides a compound or an optical isomer thereof, a pharmaceutically acceptable salt thereof, a solvate thereof, or the like, the compound represented by formula (I):

  本发明的目的是提供一种具有TrkA抑制作用的化合物、其药学上可接受的盐或其溶液剂、含有其作为活性成分的药物组合物，以及用于医疗用途的预防和/或治疗剂，特别是用于TrkA参与的疾病（疼痛、癌症、炎症/炎症性疾病、过敏性疾病、皮肤病、神经退行性疾病、传染性疾病、Sjogren综合征、子宫内膜异位症、肾脏疾病、骨质疏松症等）。具体而言，本发明提供了一种由式（I）表示的化合物或其光学异构体、其药学上可接受的盐、其溶液或类似物：