2-氯-5-碘-3-硝基吡啶 | 426463-05-0

• 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-氯-5-碘-3-硝基吡啶
• 英文名称: 2-chloro-5-iodo-3-nitropyridine
• CAS: 426463-05-0
• 化学式: C₅H₂ClIN₂O₂
• mdl: MFCD04038568
• 分子量: 284.441
• InChiKey: PIJMRJPJERUFNI-UHFFFAOYSA-N

物化性质

• 熔点：
  77-81 °C
• 沸点：
  334.0±37.0 °C(Predicted)
• 密度：
  2.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R22,R37/38,R41
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H315,H318,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-5-iodo-3-nitropyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloro-5-iodo-3-nitropyridine
CAS number: 426463-05-0

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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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H2ClIN2O2
Molecular weight: 284.4

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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 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：

  2-氯-5-碘-3-硝基吡啶 在 盐酸 、 铁粉 作用下， 以 乙醇 、 水 为溶剂， 反应 0.33h， 以92%的产率得到3-氨基-2-氯-5-碘吡啶
  参考文献：
  名称：

  2-exo-2-（2'，3'-二取代的5'-吡啶基）-7-氮杂双环[2.2.1]庚烷的合成，烟碱乙酰胆碱受体结合和抗伤害感受特性：Epibatidine类似物。

  摘要：

  合成了许多2'，3'-二取代的Epibatidine类似物，并在体外评估了其对烟碱乙酰胆碱受体（nAChRs）的效力，并在体内对急性疼痛的甩尾和热板模型中的抗伤害感受活性及其功能进行了评估。影响核心体温。在2'和3'位置均具有吸电子基团（F，Cl，Br和I）的化合物在nAChR上的亲和力与Epibatidine相似。但是，体内功效与亲和力无关。2-exo-（3'-Amino-2'-chloro-5'-吡啶基）-7-氮杂双环[2.2.1]庚烷（2i），一种在3'-位具有电子释放氨基的表巴替丁类似物，产生了最高的亲和力。化合物2i也是最具选择性的依巴替丁类似物，在字母nAChRs处的K（i）为0.001 nM，它是Epibatidine的26倍，并且alphaa / alpha（7）K（i）的比率为14,000，是Epibatidine的两倍。体内测试表明，该化合物有效抑制尼古丁引起的抗伤害感受，其AD（50）值低于1

  DOI：

  10.1021/jm0202268
• 作为产物：
  描述：

  2-氨基-5-碘-3-硝基吡啶 在 盐酸 、 sodium nitrite 、 copper(l) chloride 作用下， 以36%的产率得到2-氯-5-碘-3-硝基吡啶
  参考文献：
  名称：

  2-exo-2-（2'，3'-二取代的5'-吡啶基）-7-氮杂双环[2.2.1]庚烷的合成，烟碱乙酰胆碱受体结合和抗伤害感受特性：Epibatidine类似物。

  摘要：

  合成了许多2'，3'-二取代的Epibatidine类似物，并在体外评估了其对烟碱乙酰胆碱受体（nAChRs）的效力，并在体内对急性疼痛的甩尾和热板模型中的抗伤害感受活性及其功能进行了评估。影响核心体温。在2'和3'位置均具有吸电子基团（F，Cl，Br和I）的化合物在nAChR上的亲和力与Epibatidine相似。但是，体内功效与亲和力无关。2-exo-（3'-Amino-2'-chloro-5'-吡啶基）-7-氮杂双环[2.2.1]庚烷（2i），一种在3'-位具有电子释放氨基的表巴替丁类似物，产生了最高的亲和力。化合物2i也是最具选择性的依巴替丁类似物，在字母nAChRs处的K（i）为0.001 nM，它是Epibatidine的26倍，并且alphaa / alpha（7）K（i）的比率为14,000，是Epibatidine的两倍。体内测试表明，该化合物有效抑制尼古丁引起的抗伤害感受，其AD（50）值低于1

  DOI：

  10.1021/jm0202268

文献信息

• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。
• [EN] COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE FACTEUR-1 DE STIMULATION DE COLONIES (CSF-1R)
  申请人：GENZYME CORP

  公开号：WO2017015267A1

  公开（公告）日：2017-01-26

  Compounds of the formulas I and XIII, which are useful as colony stimulating factor-1 receptor inhibitors ("CSF 1R inhibitors").

  I和XIII式化合物，可用作促细胞增殖因子-1受体抑制剂（"CSF 1R抑制剂"）。
• [EN] PYRROLOPYRIDINE DERIVATIVES<br/>[FR] DERIVES DE PYRROLOPYRIDINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005121140A1

  公开（公告）日：2005-12-22

  The present invention relates to novel pyrrolopyridine derivatives, pharmaceutical compositions containing these compounds and their use in the treatment of diseases, particularly pain, which diseases are caused directly or indirectly by an increase or decrease in activity of the cannabinoid receptor.

  这项发明涉及新型吡咯吡啶衍生物，含有这些化合物的药物组合物以及它们在治疗疾病，特别是疼痛方面的用途，这些疾病直接或间接地由大麻素受体活性的增加或减少引起。
• ANTI-FIBROTIC PYRIDINONES
  申请人：InterMune, Inc.

  公开号：US20140094456A1

  公开（公告）日：2014-04-03

  Disclosed are pyridinone compounds, method for preparing these compounds, and methods for treating fibrotic disorders.

  揭示了吡啶酮化合物，制备这些化合物的方法，以及治疗纤维化疾病的方法。
• PROTEIN KINASE INHIBITORS
  申请人：Orion Corporation

  公开号：US20150011548A1

  公开（公告）日：2015-01-08

  A compound of formula (I), wherein R 3 , R 4 , G, B, M, and Z are as defined in the claims, and pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as FGFR inhibitors and are useful in the treatment of a condition, where FGFR kinase inhibition is desired, such as cancer.

  公式（I）的化合物中，其中R3、R4、G、B、M和Z如权利要求中所定义，并且其药学上可接受的盐已被披露。公式（I）的化合物具有作为FGFR抑制剂的效用，并且在需要FGFR激酶抑制的情况下，如癌症治疗中是有用的。