2,6-二溴-3-吡啶甲酸 | 55304-85-3

• 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 - 吡啶及其衍生物
• 中文名称: 2,6-二溴-3-吡啶甲酸
• 中文别名: 2,6-二溴烟酸；2,6-二溴-3-吡啶羧酸
• 英文名称: 2,6-dibromopyridine-3-carboxylic acid
• 英文别名: 2,6-Dibrom-nicotinsaeure；2,6-dibromonicotinic acid；2,6-Dibromo-3-pyridinecarboxylic acid
• CAS: 55304-85-3
• 化学式: C₆H₃Br₂NO₂
• 分子量: 280.903
• InChiKey: JOASPXJXGMCEOX-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C
• 沸点：
  380.1±42.0 °C(Predicted)
• 密度：
  2.202

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Dibromo-3-pyridinecarboxylic acid
Synonyms: 2,6-Dibromonicotinic acid

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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: 2,6-Dibromo-3-pyridinecarboxylic acid
CAS number: 55304-85-3

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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, refrigerated.
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: C6H3Br2NO2
Molecular weight: 280.9

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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：

  2,6-二溴-3-吡啶甲酸 在 palladium [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO) 、 phosphorus pentoxide methanesulfonate 、 水 、 caesium carbonate 、 copper(II) cyanide 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 为溶剂， 反应 6.33h， 生成 2-tert-butyl-8-chloro-9- (dimethylamino)-10H-benzo[b]1,8-naphthyridin-5-one
  参考文献：
  名称：

  [EN] BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE
  [FR] DÉRIVÉS D'ACIDE ACÉTIQUE BENZO[B][1,8]NAPHTYRIDINE ET LEUR PROCÉDÉS D'UTILISATION

  摘要：

  提供具有化学式I的化合物或其药用可接受的盐或酯，能够结合并调节干扰素基因激活剂（STING）蛋白的活性。还提供了涉及化学式I化合物作为STING有效调节剂的方法。

  公开号：

  WO2020232378A1
• 作为产物：
  描述：

  2,6-二溴吡啶-3-甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate 、 2-甲基-2-丁烯 作用下， 以 水 、 叔丁醇 为溶剂， 反应 2.0h， 生成 2,6-二溴-3-吡啶甲酸
  参考文献：
  名称：

  NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES

  摘要：

  公开号：

  EP2143724B1

文献信息

• [EN] BICYCLIC INHIBITORS OF ALK<br/>[FR] INHIBITEURS BICYCLIQUES DE L'ALK
  申请人：ABBOTT LAB

  公开号：WO2012097682A1

  公开（公告）日：2012-07-26

  The present invention relates to compounds of formula (1) or pharmaceutical acceptable salts, wherein R1, X, Y, Z, A, B, G1, and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as ALK and methods of treating diseases such as cancer.

  本发明涉及公式（1）的化合物或药用可接受的盐，其中R1、X、Y、Z、A、B、G1和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制蛋白激酶如ALK并治疗癌症等疾病的方法。
• [EN] BICYCLIC INHIBITORS OF ANAPHASTIC LYMPHOMA KINASE<br/>[FR] INHIBITEURS BICYCLIQUES DE LA KINASE DES LYMPHOMES ANAPLASIQUES
  申请人：ABBOTT LAB

  公开号：WO2012097479A1

  公开（公告）日：2012-07-26

  Disclosed are compounds of formula (Ⅰ) and their pharmaceutical acceptable salts, wherein R1, R2, R3, X, Y, Z, A, B, G1, m and n are defined in the description. The compositions containing the said compounds used for inhibiting kinases such as anaphastic lymphoma kinase (ALK) and methods of treating diseases such as cancer are disclosed.

  公开了公式（Ⅰ）的化合物及其药用盐，其中R1、R2、R3、X、Y、Z、A、B、G1、m和n在描述中有定义。公开了含有上述化合物的组合物，用于抑制激酶如间变性淋巴瘤激酶（ALK）以及治疗癌症等疾病的方法。
• Novel aminopyridine derivatives having aurora a selective inhibitory action
  申请人：Ohkubo Mitsuru

  公开号：US20060106029A1

  公开（公告）日：2006-05-18

  The present invention relates to a compound represented by the general formula (I): wherein m 1 and m 2 are 1, 2, or 3; n 1 and n 2 are 0 or 1; i is an integer of any of 1 to m 1 ; j is an integer of 1 to m 2 ; R is aryl, heteroaryl, or cycloalkyl any of which may be substituted; R ai and R ai ′ is hydrogen atom, etc. and R bj and R bj ′ is hydrogen atom, etc.; R c , R d , and R e are hydrogen atom, etc; X 1 is CH, CX 1a , or N; X 2 is CH, N, etc.; X 3 is CH, N, etc.; X 4 is CH or N; Y 1 , Y 2 , and Y 3 are each independently CH or N; Z 1 and Z 2 are each independently CH or N; W is a 5-membered aromatic heterocyclic group such as pyrazolyl, thiazolyl, etc., or a pharmaceutically acceptable salt or ester thereof; a pharmaceutical composition or antitumor agent containing the same; and combinations of the antitumor agent with other antitumor agent(s).

  本发明涉及一种由通式（I）表示的化合物：其中m1和m2为1、2或3；n1和n2为0或1；i为1到m1的任意整数；j为1到m2的任意整数；R为芳基、杂环芳基或环烷基，其中任何一个都可以被取代；Rai和Rai′为氢原子等；Rbj和Rbj′为氢原子等；Rc、Rd和Re为氢原子等；X1为CH、CX1a或N；X2为CH、N等；X3为CH、N等；X4为CH或N；Y1、Y2和Y3分别独立地为CH或N；Z1和Z2分别独立地为CH或N；W为5元芳香杂环基，例如咪唑基、噻唑基等，或其药学上可接受的盐或酯；一种含有该化合物的药物组合物或抗肿瘤剂；以及该抗肿瘤剂与其他抗肿瘤剂的组合。
• Tryptase inhibitors
  申请人：——

  公开号：US20040087791A1

  公开（公告）日：2004-05-06

  Compounds of the formula I, in which M, A1, A2, K1 and K2 have the meanings given in the description are novel effective tryptase inhibitors.

  公式I的化合物中，其中M，A1，A2，K1和K2具有描述中给出的含义，是新型有效的tryptase抑制剂。
• ANTI-VIRAL COMPOUNDS
  申请人：Rockway W. Todd

  公开号：US20070232645A1

  公开（公告）日：2007-10-04

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明揭示了有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。本发明还涉及包含这种化合物的组合物、与其他抗病毒或治疗剂一起配方或共同管理这种化合物的组合物、用于合成这种化合物的过程和中间体，以及使用这种化合物治疗HCV或其他病毒感染的方法。