2,6-二溴-4-硝基吡啶 | 175422-04-5

• 物质功能分类: 医药中间体 - 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: 2,6-二溴-4-硝基吡啶
• 英文名称: 2,6-dibromo-4-nitropyridine
• 英文别名: 4-nitro-2,6-dibromopyridine
• CAS: 175422-04-5
• 化学式: C₅H₂Br₂N₂O₂
• 分子量: 281.891
• InChiKey: XIPATZUHJFQGQC-UHFFFAOYSA-N

物化性质

• 沸点：
  330.0±37.0 °C(Predicted)
• 密度：
  2?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  58.7
• 氢给体数：
  0
• 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,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Dibromo-4-nitropyridine
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: 2,6-Dibromo-4-nitropyridine
CAS number: 175422-04-5

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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, 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: C5H2Br2N2O2
Molecular weight: 281.9

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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-4-硝基吡啶 在 铁粉 、 溶剂黄146 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.5h， 以90%的产率得到2,6-二溴-4-氨基吡啶
  参考文献：
  名称：

  [EN] ANTIBACTERIAL COMPOSITIONS
  [FR] COMPOSITIONS ANTIBACTÉRIENNES

  摘要：

  化合物(I)的分子式具有抗菌活性，其中：m为O或1; Q为氢或环丙基; AIk为可选取的取代的双价C1-C3烷基，C2-C3烯基或C2-C3炔基基团; X为-C(=O)NH-或-C(=O)O-; R2和R3如规范所定义。

  公开号：

  WO2009074810A1
• 作为产物：
  描述：

  2,6-二溴吡啶 在 硫酸 、 双氧水 、 硝酸 、 三溴化磷 、 三氟乙酸 作用下， 以 氯仿 为溶剂， 反应 36.0h， 生成 2,6-二溴-4-硝基吡啶
  参考文献：
  名称：

  抑制癌症相关突变异柠檬酸脱氢酶：合成、结构-活性关系和选择性抗肿瘤活性

  摘要：

  异柠檬酸脱氢酶 1 (IDH1) 的突变常见于某些癌症，例如神经胶质瘤。与野生型 (WT) IDH1 不同，突变酶催化 α-酮戊二酸还原为d -2-羟基戊二酸 (D2HG)，从而引发癌症。几种 1-hydroxypyridin-2-one 化合物被鉴定为 IDH1(R132H) 的抑制剂。共合成了 61 种衍生物，并研究了它们的构效关系。用K i鉴定了有效的 IDH1(R132H) 抑制剂值低至 140 nM，而它们对 WT IDH1 具有弱活性或无活性。发现所选化合物对 IDH1(R132C) 的活性与其对 IDH1(R132H) 的抑制活性以及 D2HG 的细胞产生相关，R 2分别为 0.83 和 0.73。在基于细胞的模型测定中发现几种抑制剂可渗透血脑屏障，并对具有IDH1 R132H 突变的神经胶质瘤细胞表现出有效的选择性活性（EC 50 = 0.26–1.8 μM）。

  DOI：

  10.1021/jm500660f

文献信息

• Multifunctional “Clickates” as Versatile Extended Heteroaromatic Building Blocks: Efficient Synthesis via Click Chemistry, Conformational Preferences, and Metal Coordination
  作者：Robert M. Meudtner、Marc Ostermeier、Richard Goddard、Christian Limberg、Stefan Hecht

  DOI：10.1002/chem.200701240

  日期：——

  Click chemistry has been utilized to access 2,6-bis(1-aryl-1,2,3-triazol-4-yl)pyridines (BTPs) as versatile extended heteroaromatic building blocks for their exploitation in supramolecular chemistry, in particular foldamer and ligand design. In addition to their high-yielding synthesis using Cu(I)-catalyzed Huisgen-type 1,3-dipolar cycloaddition reactions the formed triazole moieties constitute an

  点击化学已被用作2,6-双（1-芳基-1,2,3-三唑-4-基）吡啶（BTP）的通用扩展杂芳族结构单元，可用于超分子化学，特别是折叠剂和配体设计。除了使用Cu（I）催化的Huisgen型1,3-偶极环加成反应进行高产率合成外，形成的三唑部分还构成了BTP框架的组成部分，并编码了其明显的构象偏好及其螯合能力。在末端芳基和中央吡啶部分上均带有供电子和吸电子取代基的各种对称和非对称BTP已被有效地合成，并且可以容易地用两亲性侧链和卟啉发色团后官能化。在溶液和固态下，BTP支架均采用高度保守的类似马蹄铁的抗-抗构象。在质子化或金属配位时，BTP支架切换为螯合的syn-syn构象。已经制备了铁和euro配合物，通过单晶X射线衍射分析成功表征了铁和euro的配合物，并研究了它们的自旋态和发光性质。扩展的杂芳族BTP支架应被证明对响应性折叠基骨架的设计以及新的磁性和发光材料的制备有用。通过单晶X射线衍射
• PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS
  申请人：Bolli Martin

  公开号：US20110212998A1

  公开（公告）日：2011-09-01

  The invention relates to novel pyridine derivatives of formula (D, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituents are as defined in the claims.

  本发明涉及式（D）的新吡啶衍生物、它们的制备方法以及它们作为药物活性化合物的用途。所述化合物特别是作为免疫调节剂发挥作用。式（I）中，A代表，其他取代基如权利要求中所定义。
• [EN] MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE HSD17B13 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：REGENERON PHARMA

  公开号：WO2021003295A1

  公开（公告）日：2021-01-07

  The disclosure relates to compounds and pharmaceutical compositions capable of modulating the hydroxysteroid 17-beta dehydrogenase (HSD17B) family member proteins including inhibiting the HSD17B member proteins, e.g. HSD17B13. The disclosure further relates to methods of treating liver diseases, disorders, or conditions with the compounds and pharmaceutical compositions disclosed herein, in which the HSD17B family member protein plays a role.

  本公开涉及能够调节羟基类固醇17-β脱氢酶（HSD17B）家族成员蛋白的化合物和药物组合物，包括抑制HSD17B家族成员蛋白，例如HSD17B13。本公开还涉及使用此处披露的化合物和药物组合物治疗肝脏疾病、障碍或状况的方法，其中HSD17B家族成员蛋白发挥作用。
• [EN] 2,4'-BIPYRIDINYL COMPOUNDS AS PROTEIN KINASE D INHIBITORS USEFUL FOR THE TREATMENT OF IA HEART FAILURE AND CANCER<br/>[FR] COMPOSÉS DE 2,4'-BIPYRIDINYLE COMME INHIBITEURS DE LA PROTÉINE KINASE D UTILES POUR LE TRAITEMENT DE L'INSUFFISANCE CARDIAQUE ET DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2009150230A1

  公开（公告）日：2009-12-17

  The present invention provides novel organic compounds of Formula I: methods of use, and pharmaceutical compositions thereof.

  本发明提供了式I的新型有机化合物：其使用方法和药物组合物。
• Copper(ii)-mediated chiral helicity amplification and inversion of meta-ethynylpyridine polymers with metal coordination sites
  作者：Shunsuke Takashima、Hajime Abe、Masahiko Inouye

  DOI：10.1039/c1cc12358k

  日期：——

  meta-Ethynylpyridine polymers bearing metal coordination sites associate with alkyl glycoside guests to show induced circular dichroism (ICD) bands. The addition of a Cu(II) ion changed the intensity or the sign of these ICD bands. The changes suggested chiral helicity amplification or inversion of the polymers by Cu(II)-mediated cross-linking at the coordinating side chains.

  带有金属配位点的间乙炔吡啶聚合物与烷基糖苷客体缔合以显示诱导的圆二色性（ICD）谱带。Cu（II）离子的添加​​改变了这些ICD谱带的强度或符号。这些变化表明，通过配位侧链上的Cu（II）介导的交联，聚合物的手性螺旋度放大或反转。