5-溴-2-氯-4-碘吡啶 | 401892-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-溴-2-氯-4-碘吡啶
• 英文名称: 5-bromo-2-chloro-4-iodopyridine
• CAS: 401892-47-5
• 化学式: C₅H₂BrClIN
• 分子量: 318.339
• InChiKey: TYBBZOZWSLKHMV-UHFFFAOYSA-N

物化性质

• 熔点：
  149-150°
• 沸点：
  294.9±35.0 °C(Predicted)
• 密度：
  2.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-chloro-4-iodopyridine
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-chloro-4-iodopyridine
CAS number: 401892-47-5

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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: C5H2BrClIN
Molecular weight: 318.3

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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 chloride, hydrogen bromide, hy-
drogen Iodide.

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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-氯-4-碘吡啶 在 copper(l) iodide 、 正丁基锂 、 三甲基氯硅烷 、 lithium hydroxide monohydrate 、 正丁基氯化镁 、 potassium carbonate 、 caesium carbonate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 、 乙腈 为溶剂， 反应 68.0h， 生成 N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[rac-(3R,4R)-3-(dimethylamino)-4-fluoropyrrolidin-1-yl]phenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
  参考文献：
  名称：

  [EN] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING
  [FR] INHIBITEURS DE LA LIAISON PROTÉINE WDR5-PROTÉINE

  摘要：

  本申请涉及到Formula I的化合物：包括这些化合物的化合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、疾病或症状的药物。

  公开号：

  WO2017147700A1
• 作为产物：
  描述：

  5-溴-2-氯吡啶 在 叔丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 0.08h， 以65%的产率得到5-溴-2-氯-4-碘吡啶
  参考文献：
  名称：

  Unusualt-BuLi Induced Ortholithiation versus Halogen-Lithium Exchange in Bromopyridines: Two Alternative Strategies for Functionalization

  摘要：

  对各种3-溴吡啶与锂化试剂的反应进行了研究。使用t-BuLi时观察到了前所未有的选择性，在C-4位置实现了干净的锂化。对于3-溴和2-氯-3-溴吡啶，邻位锂化的交换比在很大程度上依赖于电亲和性和加成顺序，而2-氯-5-溴吡啶则始终只产生C-4取代反应。

  DOI：

  10.1055/s-2004-831337

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] INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING<br/>[FR] INHIBITEURS DE LA LIAISON ENTRE LA PROTÉINE WDR5 ET SES PARTENAIRES DE LIAISON
  申请人：ONTARIO INST FOR CANCER RES (OICR)

  公开号：WO2017147701A1

  公开（公告）日：2017-09-08

  The present application is directed to compounds of Formula I: (I) compositions comprising these compounds and their uses, for example as medicaments for the treatment of diseases, disorders or conditions mediated or treatable by inhibition of binding between WDR5 protein and its binding partners.

  本申请涉及到Formula I的化合物：(I) 包含这些化合物的组合物及其用途，例如作为治疗由于抑制WDR5蛋白与其结合伙伴之间结合而介导或可治疗的疾病、紊乱或状况的药物。
• PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK
  申请人：ADAMS Jerry Leroy

  公开号：US20100113475A1

  公开（公告）日：2010-05-06

  The present invention relates to a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 11 , R 12 , R 13 , Q, Z, and p are as described herein. Compounds of the present invention are useful for the treatment of cancers.

  本发明涉及式(I)的化合物：或其药用可接受的盐，其中R1、R2、R3、R11、R12、R13、Q、Z和p如本文所述。本发明的化合物可用于治疗癌症。
• ２−アミノ置換ピリジン誘導体
  申请人：塩野義製薬株式会社

  公开号：JP2016000700A

  公开（公告）日：2016-01-07

  【課題】抗精神病薬剤、抗不安剤、または脳機能改善剤等の医薬の有効成分等に有用な２−アミノ置換ピリジン誘導体の提供。【解決手段】式（Ｉ）で表される化合物、又はその生理学的に許容される塩。（Ｉ）［Arは複数置換／未置換のアリール基又はヘテロアリール基；前記置換基は、同一又は異なってＨ、ハロゲン原子、アルキル基等；R1〜R3は同一又は異なってＨ、アルキル基等；Yはオキシエチレン基（-OCH2CH2-）、アザエチレン基（-N(-R4)CH2CH2-）、又はアザエチレン基が酸化された置換基（-N=CHCH2-）；R4はＨ、アルキル基等］【選択図】なし

  提供对抗精神病药物、抗焦虑药物或脑功能改善剂等药物有效成分的有用2-氨基取代吡啶衍生物。 化合物，或其生理上可接受的盐，由式（I）表示。[Ar是多取代/未取代的芳基或杂环芳基；取代基可以是相同或不同的H、卤素原子、烷基等；R1〜R3可以是相同或不同的H、烷基等；Y是氧乙烯基（-OCH2CH2-）、氮乙烯基（-N(-R4)CH2CH2-）或氮乙烯基氧化的取代基（-N=CHCH2-）；R4是H、烷基等]【选择图】无
• [EN] TYK-2 INHIBITOR<br/>[FR] INHIBITEUR DE TYK -2
  申请人：BEIGENE LTD

  公开号：WO2021259208A1

  公开（公告）日：2021-12-30

  Disclosed herein is a compound of Formula (I) for inhibiting TYK2 and treating a disease associated with the undesirable tyk-2 activity (tyk-2 related diseases), a method of using the compounds disclosed herein for treating inflammatory or autoimmune disease, and a pharmaceutical composition comprising the same.

  本发明公开了一种式I化合物，用于抑制TYK2并治疗与不良tyk-2活性相关的疾病（tyk-2相关疾病），使用本发明所述化合物治疗炎症或自身免疫疾病的方法，以及包含所述化合物的药物组合物。