2-氨基-3-硝基-6-溴吡啶 | 84487-04-7

• 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1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-氨基-3-硝基-6-溴吡啶
• 中文别名: 2-硝基-3-氨基-6溴吡啶；6-溴-3-硝基-2-氨基吡啶
• 英文名称: 6-bromo-3-nitro-pyridin-2-ylamine
• 英文别名: 2-amino-3-nitro-6-bromo-pyridine；6-bromo-3-nitro-2-pyridinamine；6-bromo-3-nitropyridin-2-amine；2-amino-6-bromo-3-nitropyridine；6-amino-2-bromo-5-nitropyridine
• CAS: 84487-04-7
• 化学式: C₅H₄BrN₃O₂
• 分子量: 218.01
• InChiKey: YRXZIHANXVKUHP-UHFFFAOYSA-N

物化性质

• 熔点：
  199-202°
• 沸点：
  349.5±37.0 °C(Predicted)
• 密度：
  1.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 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：
  84.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P301+P310,P305+P351+P338
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Amino-6-bromo-3-nitropyridine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Amino-6-bromo-3-nitropyridine
CAS number: 84487-04-7

---

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.

---

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.

---

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.

---

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.
Storage: Store in closed vessels.

---

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.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H4BrN3O2
Molecular weight: 218

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氨基-3-硝基-6-溴吡啶 在 palladium diacetate 硫酸 、 1,3-双(二苯基膦)丙烷 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 溶剂黄146 为溶剂， 65.0~85.0 ℃ 、1.01 MPa 条件下， 反应 14.67h， 生成 (E)-3-(2-Chloro-4-(2-phenylethenyl)benzyl)-2-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid
  参考文献：
  名称：

  Sulfonamide compounds and medicinal use thereof

  摘要：

  化合物的化学式（I）为磺胺类化合物： R1—SO2NHCO—A—R2  （I） 其中R1为烷基，烯基，炔基等；A为除苯并咪唑基，吲哚基，4,7-二氢苯并咪唑基和2,3-二氢苯并噁嗪基之外的可选择取代的杂多环基团；X为烷基，氧杂环烷基等；R2为可选择取代的芳基，取代的联苯基等，其盐及包含其的药物组合物。该磺胺类化合物对于基于其降低血糖水平活性、cGMP-PDE（特别是PDE-V）抑制活性、平滑肌松弛活性、支气管扩张活性、血管扩张活性、平滑肌细胞抑制活性和抗过敏活性可治疗的疾病有效。

  公开号：

  US06348474B1
• 作为产物：
  描述：

  2,6-二溴-3-硝基吡啶 在 氨 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 2-氨基-3-硝基-6-溴吡啶
  参考文献：
  名称：

  Sulfonamide compounds and medicinal use thereof

  摘要：

  化合物的化学式（I）为磺胺类化合物： R1—SO2NHCO—A—R2  （I） 其中R1为烷基，烯基，炔基等；A为除苯并咪唑基，吲哚基，4,7-二氢苯并咪唑基和2,3-二氢苯并噁嗪基之外的可选择取代的杂多环基团；X为烷基，氧杂环烷基等；R2为可选择取代的芳基，取代的联苯基等，其盐及包含其的药物组合物。该磺胺类化合物对于基于其降低血糖水平活性、cGMP-PDE（特别是PDE-V）抑制活性、平滑肌松弛活性、支气管扩张活性、血管扩张活性、平滑肌细胞抑制活性和抗过敏活性可治疗的疾病有效。

  公开号：

  US06348474B1

文献信息

• [EN] HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS HÉTÉRO-HALOGÉNO D'HISTONE DÉSACÉTYLASE
  申请人：RODIN THERAPEUTICS INC

  公开号：WO2017007756A1

  公开（公告）日：2017-01-12

  This invention provides compounds that are inhibitors of HDAC2. The compounds (e.g., compounds according to Formula I, II or any of Compounds 100-128 or any of those in Tables 2 or 3) accordingly are useful for treating, alleviating, or preventing a condition in a subject such as a neurological disorder, memory or cognitive function disorder or impairment, extinction learning disorder, fungal disease or infection, inflammatory disease, hematological disease, or neoplastic disease, or for improving memory or treating, alleviating, or preventing memory loss or impairment.

  这项发明提供了抑制HDAC2的化合物。这些化合物（例如，符合式I、II或化合物100-128中的任何一种，或表2或3中的任何一种）可用于治疗、缓解或预防受试者的疾病，如神经系统疾病、记忆或认知功能障碍或损伤、消退学习障碍、真菌疾病或感染、炎症性疾病、血液疾病或肿瘤性疾病，或用于改善记忆或治疗、缓解或预防记忆丧失或损伤。
• SELECTIVE HDAC1 AND HDAC2 INHIBITORS
  申请人：Acetylon Pharmaceuticals, Inc.

  公开号：US20140128391A1

  公开（公告）日：2014-05-08

  Provided herein are compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with HDAC activity, particularly diseases or disorders that involve activity of HDAC1 and/or HDAC2. Such diseases include cancer, sickle-cell anemia, beta-thalassemia, and HIV.

  提供的是化合物、包含此类化合物的药物组合物，以及使用此类化合物来治疗或预防与HDAC活性相关疾病或失调的方法，尤其是涉及HDAC1和/or HDAC2活性的疾病。这些疾病包括癌症、镰状细胞性贫血、β-地中海贫血和HIV。
• [EN] IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE COMME MODULATEURS DE L'ACTIVITÉ DU TNF
  申请人：UCB BIOPHARMA SPRL

  公开号：WO2015086509A1

  公开（公告）日：2015-06-18

  A series of substituted 3H imidazo[4,5-b]pyridine derivatives of formula (I), being potent modulators of human TNFa activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

  一系列替代的3H咪唑并[4,5-b]吡啶衍生物，其化学式为(I)，是人类TNFa活性的有效调节剂，因此在治疗和/或预防各种人类疾病方面具有益处，包括自身免疫和炎症性疾病；神经学和神经退行性疾病；疼痛和伤害感知性疾病；心血管疾病；代谢性疾病；眼科疾病；以及肿瘤学疾病。
• NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS
  申请人：Diaz Caroline Jean

  公开号：US20100222345A1

  公开（公告）日：2010-09-02

  This invention relates to novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy.

  这项发明涉及新型化合物，它们是阿片受体的拮抗剂或逆向激动剂之一，以及含有它们的药物组合物，它们的制备过程，以及它们在治疗中的应用。
• NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES
  申请人：Ho Pil Su

  公开号：US20140315888A1

  公开（公告）日：2014-10-23

  The present invention relates to novel heterocyclic compounds useful in preparing drugs for treatment of diseases associated with various functions of the histamine 4 receptor. Especially, the said drugs are useful for treatment of inflammatory diseases, allergy, pain, nasal polyps, rhinitis, chronic sinusitis, nasal congestion, nasal itch, asthma, chronic obstructive pulmonary disease, rheumatoid arthritis, atopic dermatitis, psoriasis, eczema, pruritus, itchy skin, urticaria, idiopathic chronic urticaria, scleroderma, conjunctivitis, keratoconjunctivitis, ocular inflammation, dry eye, cardiac dysfunction, arrhythmia, atherosclerosis, multiple sclerosis, inflammatory bowel disease (including colitis, Crohn's disease, ulcerative colitis), inflammatory pain, neuropathic pain, osteoarthritic pain, autoimmune thyroid disease, immune-mediated (also known as type I) diabetes, lupus, post-operative adhesions, vestibular disorders and cancer.

  该发明涉及新型杂环化合物，用于制备治疗与组织胺4受体的各种功能相关的疾病的药物。特别是，所述药物适用于治疗炎症性疾病、过敏、疼痛、鼻息肉、鼻炎、慢性鼻窦炎、鼻塞、鼻痒、哮喘、慢性阻塞性肺病、类风湿性关节炎、特应性皮炎、牛皮癣、湿疹、瘙痒、瘙痒皮肤、荨麻疹、特发性慢性荨麻疹、硬皮病、结膜炎、角膜结膜炎、眼部炎症、干眼症、心脏功能障碍、心律失常、动脉粥样硬化、多发性硬化、炎症性肠病（包括结肠炎、克罗恩病、溃疡性结肠炎）、炎症性疼痛、神经痛、骨关节炎疼痛、自身免疫性甲状腺疾病、免疫介导（也称为I型）糖尿病、红斑狼疮、术后粘连、前庭障碍和癌症的药物治疗。