3-溴-6-氯吡啶-2-胺 | 442127-50-6

• 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: 3-溴-6-氯吡啶-2-胺
• 中文别名: 2-氨基-3-溴-6-氯吡啶
• 英文名称: 3-bromo-6-chloropyridin-2-amine
• CAS: 442127-50-6
• 化学式: C₅H₄BrClN₂
• 分子量: 207.457
• InChiKey: OSFDXYVWIQEZHA-UHFFFAOYSA-N

物化性质

• 沸点：
  273.5±35.0 °C(Predicted)
• 密度：
  1.834±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-3-bromo-6-chloropyridine
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: 2-Amino-3-bromo-6-chloropyridine
CAS number: 442127-50-6

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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: C5H4BrClN2
Molecular weight: 207.5

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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.

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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-6-氯吡啶-2-胺 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 、 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 20.0h， 生成 tert-butyl N-tert-butyloxycarbonyl-6-chloro-3,3'-bipyridin-2-ylcarbamate
  参考文献：
  名称：

  [EN] PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES
  [FR] PYRROLO [2,3-C] PYRIDINES EN TANT QU'AGENTS D'IMAGERIE D'ENCHEVÊTREMENTS NEUROFIBRILLAIRES

  摘要：

  公开了式(I)的吡咯吡啶化合物或其药学上可接受的盐，这些化合物可能适用于成像tau聚集体、β-折叠聚集体、β-淀粉样聚集体或α-突触核蛋白聚集体，因此在结合和成像阿尔茨海默病患者的tau聚集体方面是有用的。更具体地，这些化合物被用作正电子发射断层扫描（PET）成像中的示踪剂，用于研究体内脑部的tau沉积，以便诊断阿尔茨海默病和其他以tau病理为特征的神经退行性疾病。此外，这些化合物对于测量治疗阿尔茨海默病和其他以tau病理为特征的神经退行性疾病的临床疗效是有用的。

  公开号：

  WO2015188368A1
• 作为产物：
  描述：

  2-氨基-6-氯吡啶 在 溴 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以25.5%的产率得到3-溴-6-氯吡啶-2-胺
  参考文献：
  名称：

  [EN] SUBSTITUTED AZA COMPOUNDS AS IRAK-4 INHIBITORS
  [FR] COMPOSÉS AZA SUBSTITUÉS COMME INHIBITEURS DE L'IRAK-4

  摘要：

  本发明提供了式（I）或（II）的取代氮杂化合物及其在药学上可接受的盐，并且它们用于抑制IRAK-4和/或治疗由IRAK-4引起的疾病或紊乱。

  公开号：

  WO2017009806A1

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] MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS<br/>[FR] DÉRIVÉS D'AZOLOPYRIDINE MACROCYCLIQUES UTILISÉS EN TANT QUE MODULATEURS EED ET PRC2
  申请人：FULCRUM THERAPEUTICS INC

  公开号：WO2020190754A1

  公开（公告）日：2020-09-24

  The invention relates to modulators of Embryonic Ectoderm Development (EED) and/or Polycomb Repressive Complex 2 (PRC2) useful in the treatment of disorders and diseases associated with EEC and PRC2, being macrocyclic azolopyridine derivatives and compositions thereof of Formula (I), or a pharmaceutically acceptable salt, prodrug, solvate, hydrate, enantiomer, isomer, or tautomer thereof, wherein X1, X2, X3, A1, A2, Y, R1, R2, R3, and R4 are as described herein.

  本发明涉及用于治疗与Embryonic Ectoderm Development (EED)和/或Polycomb Repressive Complex 2 (PRC2)相关的疾病和障碍的调节剂，是式(I)所示的宏环唑啉衍生物及其组合物，或其药用可接受的盐、前药、溶剂化物、水合物、对映体、异构体或互变异构体，其中X1、X2、X3、A1、A2、Y、R1、R2、R3和R4如本文所述。
• [EN] OXAZOLIDINONE DERIVATIVES<br/>[FR] DÉRIVÉS D'OXAZOLIDINONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009104159A1

  公开（公告）日：2009-08-27

  The invention relates to compounds of Formula (I) wherein U, V, W, R1, R1b, A and G are as defined in the description, to pharmaceutically acceptable salts of such compounds and to the use of these compounds in the manufacture of a medicament for the prevention or treatment of a bacterial infection.

  这项发明涉及到式（I）中U、V、W、R1、R1b、A和G的化合物，这些化合物的药学上可接受的盐，以及这些化合物在制备用于预防或治疗细菌感染的药物方面的用途。
• AZATRICYCLIC ANTIBIOTIC COMPOUNDS
  申请人：Hubschwerlen Christian

  公开号：US20100331318A1

  公开（公告）日：2010-12-30

  The invention relates to antibacterial compounds of formula I wherein n is 0 or 1; R 1 represents H or F; U represents CH 2 or, provided n is 1, O or NH; “-----” is a bond or is absent; V represents CH or N when “-----” is a bond, or CH 2 or NH when “-----” is absent; W represents CH or N; A represents —(CH—) p —NH—(CH 2 ) q — wherein p is 1 and q is 1 or 2 or, provided U represents CH 2 and n is 1, p may also be 0 and q is then 2; G represents one of the groups wherein Z represents N or CH and Q represents O or S; and Z 0 , Z 1 and Z 2 each represent CH, or Z 0 and Z 1 each represent CH and Z 2 represents N, or Z 0 represents CH, Z 1 represents N and Z 2 represents CH or N, or Z 0 represents N and Z 1 and Z 2 each represent CH; and to salts of such compounds.

  该发明涉及具有以下结构的抗菌化合物，其中n为0或1；R1代表H或F；U代表CH2或，如果n为1，则为O或NH；“-----”是一个键或不存在；V代表CH或N，当“-----”是一个键时，或CH2或NH，当“-----”不存在时；W代表CH或N；A代表—(CH—)p—NH—(CH2)q—，其中p为1，q为1或2，或者，如果U代表CH2且n为1，则p也可以为0，q则为2；G代表以下组之一，其中Z代表N或CH，Q代表O或S；Z0、Z1和Z2分别代表CH，或Z0和Z1分别代表CH且Z2代表N，或Z0代表CH，Z1代表N且Z2代表CH或N，或Z0代表N且Z1和Z2分别代表CH；以及这些化合物的盐。
• [EN] TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIBIOTIQUES OXAZOLIDINONE TRICYCLIQUE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010041194A1

  公开（公告）日：2010-04-15

  The invention relates to antibacterial compounds of formula (I) wherein “-----” is a bond or is absent, V is CH, CR 6 or N; R 0 is H or, if “-----” is a bond, may also be alkoxy; R 1 is notably H or halogen; U is CH or N when “-----” is a bond, or, if “-----” is absent, U is CH 2, NH or NR 9; R 2 is H, alkylcarbonyl or –CH 2 -R 3; R 3 is H, alkyl or hydroxyalkyl; R 4 is H or, if n is not 0 and R 5 is H, may also be OH; R 5 is H, alkyl, hydroxyalkyl, aminoalkyl, alkoxyalkyl, carboxy or alkoxycarbonyl; R 6 is hydroxyalkyl, carboxy, alkoxycarbonyl or -(CH 2 ) q -NR 7 R 8, q being 1, 2 or 3 and each of R 7 and R 8 independently being H or alkyl or R 7 and R 8 forming with the N atom bearing them a ring; R 9 is alkyl or hydroxyalkyl; A is -(CH 2 ) p -, -CH 2 CH 2 CH(OH)- or -COCH 2 CH(OH)-; G is substituted phenyl or G 1 or G 2, wherein Q is O or S and X is CH or N; and Y 1, Y 2 and Y 3 may each be CH or N; and n is 0 when A is -CH 2 CH 2 CH(OH)- or -COCH 2 CH(OH)-, and n is 0, 1 or 2 when A is -(CH 2 ) p -, p being 1, 2, 3 or 4, with the proviso that the sum of n and p is then 2, 3 or 4; and to salts of such compounds.

  该发明涉及式(I)的抗菌化合物，其中“-----”是键或不存在，V是CH，CR 6或N; R 0是H或如果“-----”是键，则也可以是烷氧基; R 1主要是H或卤素; 当“-----”是键时，U是CH或N，或者如果“-----”不存在，则U是CH 2，NH或NR 9; R 2是H，烷基羰基或-CH 2 -R 3; R 3是H，烷基或羟基烷基; R 4是H或如果n不为0且R 5为H，则也可以是OH; R 5是H，烷基，羟基烷基，氨基烷基，烷氧基烷基，羧基或烷氧羰基; R 6是羟基烷基，羧基，烷氧羰基或-(CH 2 ) q -NR 7 R 8，其中q为1、2或3，且R 7和R 8中的每一个独立地是H或烷基，或R 7和R 8与携带它们的N原子形成一个环; R 9是烷基或羟基烷基; A是-(CH 2 ) p-，-CH 2 CH 2 CH(OH)-或-COCH 2 CH(OH)-; G是取代苯基或G 1或G 2，其中Q是O或S，X是CH或N; Y 1、Y 2和Y 3每个可以是CH或N; 当A为-CH 2 CH 2 CH(OH)-或-COCH 2 CH(OH)-时，n为0，当A为-(CH 2 ) p-，p为1、2、3或4时，n为0、1或2，但n和p的总和为2、3或4; 以及这些化合物的盐。