7-氮杂-吲哚-2-酮 | 5654-97-7

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 7-氮杂-吲哚-2-酮
• 中文别名: 1,3-二氢-2H-吡咯[2,3-B]吡啶；7-氮杂吲哚-2-酮；1,3-二氢吡咯并[2,3-b]吡啶-2-酮；1,3-二氢-2H-吡咯并[2,3-B]吡啶-2-酮；1,3-二氢吡咯并[2,3-B]吡啶-2-酮
• 英文名称: 7-azaoxindole
• 英文别名: 1H-pyrrolo[2,3-b]pyridin-2(3H)-one；1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-one；1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one；1,3-dihydropyrrolo[2,3-b]pyridin-2-one
• CAS: 5654-97-7
• 化学式: C₇H₆N₂O
• mdl: MFCD07367951
• 分子量: 134.137
• InChiKey: ZXSQEZNORDWBGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  175 °C
• 沸点：
  290.0±33.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存于室温环境，保持干燥和密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,3-Dihydro-2h-pyrrolo[2,3-b]pyridin-2-one
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: 1,3-Dihydro-2h-pyrrolo[2,3-b]pyridin-2-one
CAS number: 5654-97-7

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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: C7H6N2O
Molecular weight: 134.1

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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.

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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

制备方法与用途

用途

7-氮杂-吲哚-2-酮是一种酮类有机物，可用作有机合成中的中间体。

制备

7-氮杂-吲哚-2-酮可通过以下步骤制备：首先将7-氮杂吲哚溴代得到3,3-二溴氮杂吲哚啉-2-酮，然后通过脱溴反应最终得到目标产物。

反应信息

• 作为反应物：
  描述：

  7-氮杂-吲哚-2-酮 在 N-溴代丁二酰亚胺(NBS) 、 水 、 碳酸氢钠 作用下， 以 二甲基亚砜 为溶剂， 60.0~95.0 ℃ 、10.0 kPa 条件下， 反应 10.0h， 以31%的产率得到1H-吡咯[2,3-B]吡啶-2,3-二酮
  参考文献：
  名称：

  7-azaindirubins, 7'-azaindirubins, 7-7'-diazaindirubin and the corresponding 3'-oxime ether derivates: production thereof, their production and use as a medicament

  摘要：

  本发明涉及7-azaindirubins（1）、7'-azaindirubins（2）和7,7'-二氮杂吲哚（3），其中E、R1和R2的含义在描述中有详细说明，它们的制备和用作治疗癌症、神经退行性疾病、躁郁症、炎症和传染病，包括病毒性疾病的药物。根据结构的不同，这些吲哚作为抑制与肿瘤细胞生长有关的各种激酶的作用，尤其是作为人类肿瘤细胞增殖的抑制剂。与携带相同取代基但在位置7和7'没有杂原子的吲哚相比，根据本发明的化合物的活性增加，且通过CYP450酶代谢的倾向减少，从而提高了代谢稳定性。

  公开号：

  EP2199292A1
• 作为产物：
  描述：

  3-吡啶乙腈 在 ammonium hydroxide 、 双氧水 、 copper(II) sulfate 、 溶剂黄146 、 三氯氧磷 作用下， 生成 7-氮杂-吲哚-2-酮
  参考文献：
  名称：

  7-Azaindole. V. Investigations of Alternative Syntheses of the Ring System^1,2

  摘要：

  DOI：

  10.1021/ja01512a057

文献信息

• 3-heteroarylidene-2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06486185B1

  公开（公告）日：2002-11-26

  The present invention relates to novel 3-heteroarylidene-2-indolinone compounds and physiologically acceptable salts thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-杂环亚烯基-2-吲哚酮化合物及其生理上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• [EN] IMIDAZOLINONE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'IMIDAZOLINONE EN TANT QU'ANTAGONISTES DE RÉCEPTEURS CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2010077752A1

  公开（公告）日：2010-07-08

  The present invention is directed to imidazolinone derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及嘧啶啉酮衍生物，其为CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及CGRP的这类疾病中使用这些化合物和组合物。
• [EN] DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS<br/>[FR] ANALOGUES DE DIHYDROBENZOFURANE ET D'INDEN EN TANT QU'INHIBITEURS DE SARCOMES CARDIAQUES
  申请人：CYTOKINETICS INC

  公开号：WO2019144041A1

  公开（公告）日：2019-07-25

  Provided are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein A, Z, B, R1, R2, R3, G1, G2, and G3 are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof Also provided are methods of using a compound of Formula (I), or a pharmaceutically acceptable salt, thereof for use in methods of treatment heart diseases through cardiac sarcomere inhibtion.

  提供的是式（I）的化合物，或其药学上可接受的盐，其中A、Z、B、R1、R2、R3、G1、G2和G3如本文所定义。还提供了一种包含式（I）的化合物或其药学上可接受的盐的药学上可接受的组合物。还提供了使用式（I）的化合物或其药学上可接受的盐的方法，用于治疗心脏疾病通过心肌肌节抑制。
• 3-(cycloalkanoheteroarylidenyl)-2-indolinone protein tyrosine kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06350754B2

  公开（公告）日：2002-02-26

  The present invention relates to novel 3-(cycloalkano-heteroarylidenyl)-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(环烷基-杂环芳基亚亚甲基)-2-吲哚酮化合物及其生理上可接受的盐和前药，预计这些化合物可以调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病，如癌症方面具有用处。
• [EN] AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS<br/>[FR] AZABENZIMIDAZOLES ET LEUR UTILISATION EN TANT QUE MODULATEURS DES RÉCEPTEURS AMPA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016176460A1

  公开（公告）日：2016-11-03

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, [formula (I) should be inserted here]. Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文件提供了公式(I)的化合物，以及药学上可接受的盐、N-氧化物或溶剂化物[此处应插入公式(I)]。此外，还提供了包含公式(I)化合物的药物组合物以及使用公式(I)化合物的方法。