3-溴-4-乙氧基吡啶 | 3522-97-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-溴-4-乙氧基吡啶
• 英文名称: 3-bromo-4-ethoxypyridine
• 英文别名: 3-bromo-4-ethoxy-pyridine；3-Brom-4-aethoxy-pyridin；4-Aethoxy-3-brom-pyridin；3-Brom-4-ethoxy-pyridin；4-Ethoxy-3-brom-pyridin
• CAS: 3522-97-2
• 化学式: C₇H₈BrNO
• 分子量: 202.051
• InChiKey: YGTKCIIICLDVAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-4-ethoxypyridine
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: 3-Bromo-4-ethoxypyridine
CAS number: 3522-97-2

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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: C7H8BrNO
Molecular weight: 202.0

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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

反应信息

• 作为反应物：
  描述：

  3-溴-4-乙氧基吡啶 在 正丁基锂 、 XPhos Pd G2 、 potassium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 水 为溶剂， 反应 3.0h， 生成 (+/-)-trans-N-[8-amino-6-(4-ethoxy-3-pyridyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropanecarboxamide
  参考文献：
  名称：

  NAPHTHYRIDINES AS INHIBITORS OF HPK1

  摘要：

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。

  公开号：

  US20180282328A1
• 作为产物：
  描述：

  3-溴-4-硝基吡啶-N-氧化物 以44%的产率得到
  参考文献：
  名称：

  SAIDOVA F. M.; MIXAJLOVA O. V.; KADYROV CH. SH., SAMARKAND. YH-T. SAMARKAND, 1975. 6 S., BIBLIOGR. 8 NAZV. (RUKOPIS DEP. V+

  摘要：

  DOI：

文献信息

• [EN] NOVEL CYP17 INHIBITORS/ANTIANDROGENS<br/>[FR] NOUVEAUX INHIBITEURS DE CYP17/ANTIANDROGÈNES
  申请人：ORION CORP

  公开号：WO2014202827A1

  公开（公告）日：2014-12-24

  Compounds of formula (I), wherein R1 to R8 A, B, Z1 and Z2 are as defined in the claims and pharmaceutically acceptable salts and esters thereof are disclosed. The compounds of formula (I) possess utility as androgen receptor antagonists (inhibitors) and/or cytochrome P450 monooxygenase 17a-hydroxylase/17,20-lyase (CYP17) inhibitors. The compounds are useful as medicaments in the treatment of cancer, particularly prostate cancer, and other androgen dependent conditions and diseases where androgen antagonism is desired.

  公式（I）的化合物，其中R1至R8，A，B，Z1和Z2如权利要求中所定义，并且其药用盐和酯被披露。公式（I）的化合物具有作为雄激素受体拮抗剂（抑制剂）和/或细胞色素P450单加氧酶17a-羟化酶/17,20-裂解酶（CYP17）抑制剂的效用。这些化合物在治疗癌症，特别是前列腺癌，以及其他需要雄激素拮抗作用的疾病和情况中作为药物是有用的。
• Benzophenones as inhibitors of IL-1beta and TNF-alpha
  申请人：——

  公开号：US20020016347A1

  公开（公告）日：2002-02-07

  Heteroaryl aminobenzophenones of general formula I inhibit interleukin-1&bgr; and TNF-&agr; and may therefore be useful in the therapy of inflammatory diseases and conditions.

  通式为I的杂环氨基苯酮抑制白细胞介素-1β和TNF-α，因此可能在治疗炎症性疾病和状况中有用。
• SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS
  申请人：Austin Joel Francis

  公开号：US20140148453A1

  公开（公告）日：2014-05-29

  Disclosed are sulfonamide compounds of Formula (I): or stereoisomers, N-oxides, prodrugs, or pharmaceutically acceptable salts thereof, wherein ring A, R 1 , R 2 , R 3 , R 4 and R 5 are defined herein. Also disclosed are methods of using such compounds in the treatment of conditions related to CYP17 enzyme, such as cancer, and pharmaceutical compositions comprising such compounds.

  本发明涉及式(I)的磺酰胺化合物，或其立体异构体、N-氧化物、前药或其药学上可接受的盐，其中环A、R1、R2、R3、R4和R5如本文所定义。同时，本发明还涉及使用这些化合物治疗与CYP17酶有关的疾病，如癌症，以及包含这些化合物的药物组合物的方法。
• NOVEL CYP17 INHIBITORS/ANTIANDROGENS
  申请人：ORION CORPORATION

  公开号：US20160130254A1

  公开（公告）日：2016-05-12

  Compounds of formula (I) wherein R 1 to R 8 , A, B, Z 1 , and Z 2 are as defined in the claims and pharmaceutically acceptable salts and esters thereof are disclosed. The compounds of formula (I) possess utility as androgen receptor antagonists (inhibitors) and/or cytochrome P450 monooxygenase 17α-hydroxylase/17,20-lyase (CYP17) inhibitors. The compounds are useful as medicaments in the treatment of cancer, particularly prostate cancer, and other androgen dependent conditions and diseases where androgen antagonism is desired.

  公式（I）化合物的结构式中，其中R1至R8，A，B，Z1和Z2如权利要求所定义，并且其药学上可接受的盐和酯被揭示。公式（I）化合物具有作为雄激素受体拮抗剂（抑制剂）和/或细胞色素P450单加氧酶17α-羟化酶/17,20-裂解酶（CYP17）抑制剂的效用。这些化合物在治疗癌症，特别是前列腺癌和其他需要雄激素拮抗剂的疾病和病情中作为药物是有用的。
• BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP3351533A1

  公开（公告）日：2018-07-25

  Provided is a compound showing excellent antifungal activity against Trichophyton fungus, which is a major causative microorganism of superficial mycosis, and high effectiveness on diseases caused by Trichophyton fungi. A biaryl derivative represented by the formula (I) or a salt thereof: wherein ring A is an optionally substituted phenyl, or an optionally substituted 5- or 6-membered ring heteroaryl (ring A may be further condensed to form an optionally substituted fused ring); Q is CH2, C=O, NH, O, S or the like; X1, X2 and X3 are CR1 or N; Y is CH or N; Z is CR2b or N; R2a and R2b are each a hydrogen atom, a halogen atom, an optionally substituted C1-C6 alkyl group, a C1-C6 haloalkyl group or the like; R2a and R2b may form, together with carbon atoms bonded thereto, an optionally substituted carbocycle, or an optionally substituted heterocycle.

  本发明提供了一种化合物，该化合物对毛癣菌具有极佳的抗真菌活性，而毛癣菌是表皮真菌病的主要致病微生物，该化合物对毛癣菌引起的疾病具有极高的疗效。一种由式（I）代表的双芳基衍生物或其盐： 其中环 A 是任选取代的苯基，或任选取代的 5 或 6 元环杂芳基（环 A 可进一步缩合形成任选取代的融合环）；Q 是 CH2、C=O、NH、O、S 或类似物；X1、X2 和 X3 是 CR1 或 N；Y 是 CH 或 N；Z 是 CR2b 或 N；R2a 和 R2b 各为氢原子、卤素原子、任选取代的 C1-C6 烷基、C1-C6 卤代烷基或类似基团；R2a 和 R2b 可与其键合的碳原子一起形成任选取代的碳环或任选取代的杂环。