N-(4-氯-2-吡啶)乙酰胺 | 245056-66-0

• 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 - 有机氮化合物
• 中文名称: N-(4-氯-2-吡啶)乙酰胺
• 中文别名: N-(4-氯吡啶-2-基)乙酰胺；N-(4-氯吡啶)乙酰胺
• 英文名称: N-(4-chloropyridin-2-yl)acetamide
• CAS: 245056-66-0
• 化学式: C₇H₇ClN₂O
• 分子量: 170.598
• InChiKey: WIPAEYIAUBBKRC-UHFFFAOYSA-N

物化性质

• 沸点：
  356.0±27.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42
• 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：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Acetamido-4-chloropyridine
Synonyms: N-(4-Chloropyridin-2-yl)acetamide

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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-Acetamido-4-chloropyridine
CAS number: 245056-66-0

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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.
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: C7H7ClN2O
Molecular weight: 170.6

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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.

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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：

  N-(4-氯-2-吡啶)乙酰胺 在 甲醇 、 T406石油添加剂 、 氯化亚砜 、 potassium tert-butylate 、 三乙酰氧基硼氢化钠 、 sodium hydride 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 23.92h， 生成 5-({2-[({4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl}carbonyl)amino]pyridin-4-yl}oxy)-6-(2-methoxyethoxy)-N-methyl-1H-indole-1-carboxamide
  参考文献：
  名称：

  MONOCYCLIC PYRIDINE DERIVATIVE

  摘要：

  本发明提供了一种具有FGFR抑制活性的新型化合物或其药学上可接受的盐，以及含有该化合物的药物组合物。具体地，本发明提供了由以下式(I)表示的化合物或其药学上可接受的盐： 其中n表示0至2；A表示芳基或杂芳基；G表示单键，氧原子或—CH2—；E表示含氮非芳杂环；R1表示烷氧基或类似物；R2表示氢原子或类似物；R3表示氢原子，烷基，烷氧基或类似物，但是当E表示氮杂环丙烷环且R2或R3存在于氮原子上时，R2或R3不表示氢原子。

  公开号：

  US20140235614A1
• 作为产物：
  描述：

  2-氨基-4-氯吡啶 、 乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以70.2%的产率得到N-(4-氯-2-吡啶)乙酰胺
  参考文献：
  名称：

  基于新型4-苯氧基吡啶的3-oxo-3,4-二氢喹喔啉-2-羧酰胺衍生物作为潜在的c-Met激酶抑制剂的设计，合成和生物学评估

  摘要：

  通过小分子抑制剂阻断c-Met激酶活性已被认为是治疗癌症的有前途的方法。在这里，我们描述了一系列基于4-苯氧吡啶的3-氧代-3,4-二氢喹喔啉衍生物作为c-Met激酶抑制剂的设计，合成和生物学评估。对c-Met激酶的抑制活性评估表明，大多数化合物在体外均表现出出色的c-Met激酶活性，十种化合物（23a，23e，23f，23l，23r，23s，23v，23w，23x和23y）的IC 50值）小于10.00 nM。值得注意的是，它们中的三个（23v，23w和23y）显示出显着的效价，IC 50值分别为2.31 nM，1.91 nM和2.44 nM，因此它们比阳性对照药物foretinib（c-Met，IC 50  = 2.53 nM）。细胞毒性评估表明，最有希望的化合物23w对A549，H460和HT-29细胞系表现出显着的细胞毒性，IC 50值分别为1.57μM，0.94μM和0.65μM

  DOI：

  10.1016/j.bioorg.2020.104371

文献信息

• Discovery of a Pyrimidinedione Derivative as a Potent and Orally Bioavailable Axl Inhibitor
  作者：Hefeng Zhang、Xia Peng、Yang Dai、Jingwei Shao、Yinchun Ji、Yiming Sun、Bo Liu、Xu Cheng、Jing Ai、Wenhu Duan

  DOI：10.1021/acs.jmedchem.0c02093

  日期：2021.4.8

  therapeutics. We used molecular modeling-assisted structural optimization starting with the low micromolar potency compound 9 to discover compound 13c, a highly potent and orally bioavailable Axl inhibitor. Selectivity profiling showed that 13c could inhibit the well-known oncogenic kinase Met with equal potency to its inhibition of Axl superfamily kinases. Compound 13c significantly inhibited cellular Axl and

  受体酪氨酸激酶 Axl 在促进癌症进展、转移和耐药性中发挥重要作用，并已被确定为抗癌治疗的有希望的靶点。我们从低微摩尔效力化合物9开始，使用分子建模辅助结构优化来发现化合物13c ，这是一种高效且可口服生物利用的 Axl 抑制剂。选择性分析表明， 13c可以抑制众所周知的致癌激酶 Met，其抑制 Axl 超家族激酶的效力相同。化合物13c显着抑制细胞Axl和Met信号传导，抑制Axl和Met驱动的细胞增殖，并抑制Gas6/Axl介导的癌细胞迁移或侵袭。此外， 13c在 Axl 驱动和 Met 驱动的肿瘤异种移植模型中表现出显着的抗肿瘤功效，在耐受良好的剂量下导致肿瘤停滞或消退。所有这些有利的数据使13c成为癌症治疗的有前途的候选药物。
• [EN] CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS<br/>[FR] ENTITÉS CHIMIQUES, COMPOSITIONS ET MÉTHODES PARTICULIÈRES
  申请人：NEUPHARMA INC

  公开号：WO2018035061A1

  公开（公告）日：2018-02-22

  Chemical entities that are kinase inhibitors, pharmaceutical compositions and methods of treatment of cancer are described.

  化学实体、药物组合物及其用于治疗癌症的方法，所述化学实体为激酶抑制剂。
• BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20130324529A1

  公开（公告）日：2013-12-05

  The present invention is related to novel benzimidazole compounds of formula (I) having cannabinoid receptor agonistic properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases linked to the mediation of the cannabinoid receptors in animals, in particular humans.

  本发明涉及具有大麻素受体激动性质的新型苯并咪唑化合物（I）的公式，包括这些化合物的药物组合物，制备这些化合物的化学过程以及它们在治疗与大麻素受体在动物中介导相关的疾病，特别是人类中的用途。
• [EN] POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES<br/>[FR] DÉRIVÉS D'URÉE POLYAROMATIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES MUSCULAIRES
  申请人：ANAGENESIS BIOTECHNOLOGIES S A S

  公开号：WO2021013712A1

  公开（公告）日：2021-01-28

  The current invention provides urea derivatives, in particular compounds having the core structure heteroaryl-NH-CO-NH-aryl-O- heteroaryl, for use in treating, ameliorating, delaying, curing and/ or preventing a disease or condition associated with muscle cells and/or satellite cells, such as Duchenne muscular dystrophy, Becker muscular dystrophy, cachexia or sarcopenia.

  当前的发明提供尿素衍生物，特别是具有核心结构杂环基-NH-CO-NH-芳基-O-杂环基的化合物，用于治疗、改善、延缓、治愈和/或预防与肌肉细胞和/或卫星细胞相关的疾病或症状，如杜兴氏肌肉萎缩症、贝克氏肌肉萎缩症、虚弱或肌肉萎缩症。
• [EN] 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS<br/>[FR] 6-HÉTÉROARYLOXY BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2
  申请人：AJAX THERAPEUTICS INC

  公开号：WO2021226261A1

  公开（公告）日：2021-11-11

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  本公开提供了6-杂芳氧基苯并咪唑和氮杂苯并咪唑化合物及其组合物，用于抑制JAK2。