7-二甲基氨基-4-甲基香豆素-3-异硫氰酸酯 | 700844-09-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: 7-二甲基氨基-4-甲基香豆素-3-异硫氰酸酯
• 中文别名: 7-氯噻吩并[3,2-B]吡啶-6-甲腈
• 英文名称: 7-chlorothieno[3,2-b]pyridine-6-carbonitrile
• CAS: 700844-09-3
• 化学式: C₈H₃ClN₂S
• 分子量: 194.644
• InChiKey: PQNQDMVDUXLEQW-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  354.2±37.0 °C(Predicted)
• 密度：
  1.51

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 储存条件：
  室温和干燥环境中使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 7-Chlorothieno[3,2-b]pyridine-6-carbonitrile
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: 7-Chlorothieno[3,2-b]pyridine-6-carbonitrile
CAS number: 700844-09-3

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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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H3ClN2S
Molecular weight: 194.6

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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, sulfur 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

反应信息

• 作为反应物：
  描述：

  7-二甲基氨基-4-甲基香豆素-3-异硫氰酸酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 、 正庚烷 、 二氯甲烷 、 乙基苯 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-chloro-2-formylthieno [3,2-b] pyridine-6-carbonitrile
  参考文献：
  名称：

  Thieno[3,2-b]pyridine-6-carbonitriles and thieno[2,3-b]pyridine-5-carbonitriles as protein kinase inhibitors

  摘要：

  这项发明提供了式（1a）-（1f）的化合物，II1，其中：X、m、n、q、R1、R2、R3、R4、R5、R6、R7、R8、R9、Y、Q、Z、Z′、Z′″、Z″和J在本说明书中有定义，这些化合物在治疗癌症、中风、心肌梗死、神经病痛、骨质疏松症、多囊性肾脏病、自身免疫疾病、类风湿关节炎和移植排斥方面具有用途，并提供了生产这些化合物的方法。

  公开号：

  US20040242883A1
• 作为产物：
  描述：

  7-chlorothieno[3,2-b]pyridine-6-carbonyl chloride 在 ammonium hydroxide 、 三聚氯氰 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 0.5h， 生成 7-二甲基氨基-4-甲基香豆素-3-异硫氰酸酯
  参考文献：
  名称：

  Identification of 7-Phenylaminothieno- [3,2-b]pyridine-6-carbonitriles as a New Class of Src Kinase Inhibitors

  摘要：

  We disclose here a new class of kinase inhibitors, obtained by replacing the phenyl ring of a 3-quinoline-carbonitrile system with a thiophene ring. When suitably substituted, the resultant 7-phenylaminothieno[3,2-b]pyridine-6-carbonitrile analogues show potent inhibition of Src kinase activity.

  DOI：

  10.1021/jm049237m

文献信息

• FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Hsieh Hsing-Pang

  公开号：US20100081675A1

  公开（公告）日：2010-04-01

  Fused multicyclic compounds of formula (I): wherein R′, R″, X, Y, Z, A, B, C, D, and n are defined herein. Also disclosed are a method for inhibiting protein kinase (e.g., Aurora kinase) activity and a method for treating a protein kinase mediated disorder (e.g., cancer) with these compounds.

  公式（I）的融合多环化合物：其中R′、R″、X、Y、Z、A、B、C、D和n在此定义。还公开了一种抑制蛋白激酶（例如Aurora激酶）活性的方法以及使用这些化合物治疗蛋白激酶介导的疾病（例如癌症）的方法。
• Thieno [ 3,2-b] pyridine-6-carbonitriles and thieno [2,3-b] pyridine-5-carbonitriles as protein kinase inhibitors
  申请人：Boschelli Harris Diane

  公开号：US20080070913A1

  公开（公告）日：2008-03-20

  This invention provides compounds of Formula (1a)-(1f), II wherein: X, m, n, q, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , Y, Q, Z, Z′, Z′″, Z″ and J are defined hereinbefore in the specification, which are useful in the treatment of cancer, stroke, myocardial infarction, neuropathic pain, osteoporosis, polycystic kidney disease, autoimmune disease, rheumatoid arthritis, and transplant rejection and process for producing said compounds.

  本发明提供了以下公式（1a）-（1f），II的化合物： 其中，X，m，n，q，R1，R2，R3，R4，R5，R6，R7，R8，R9，Y，Q，Z，Z′，Z′″，Z″和J在说明书中已定义，这些化合物在癌症、中风、心肌梗死、神经病性疼痛、骨质疏松症、多囊肾病、自身免疫性疾病、类风湿性关节炎和移植排斥等疾病的治疗中有用，并提供了制备这些化合物的方法。
• FATTY ACID SYNTHASE INHIBITORS
  申请人：Adams Nicholas D.

  公开号：US20130237535A1

  公开（公告）日：2013-09-12

  This invention relates to the use of spirocyclic piperidine derivatives for the modulation, notably the inhibition of the activity or function of fatty acid synthase (FAS). Suitably, the present invention relates to the use of spirocyclic piperidines in the treatment of cancer.

  本发明涉及使用螺环状哌啶衍生物来调节脂肪酸合成酶（FAS）的活性或功能，尤其是抑制其活性或功能。适当地，本发明涉及使用螺环状哌啶衍生物治疗癌症。
• Fused multicyclic compounds as protein kinase inhibitors
  申请人：Hsieh Hsing-Pang

  公开号：US09006252B2

  公开（公告）日：2015-04-14

  Fused multicyclic compounds of formula (I): wherein R′, R″, X, Y, Z, A, B, C, D, and n are defined herein. Also disclosed are a method for inhibiting protein kinase (e.g., Aurora kinase) activity and a method for treating a protein kinase mediated disorder (e.g., cancer) with these compounds.

  式（I）的融合多环化合物：其中R′、R″、X、Y、Z、A、B、C、D和n的定义如本文所述。还揭示了一种抑制蛋白激酶（例如Aurora激酶）活性的方法，以及使用这些化合物治疗蛋白激酶介导的疾病（例如癌症）的方法。
• [EN] THIENO[3,2-b]PYRIDINE-6-CARBONITRILES AND THIENO[2,3-b]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS<br/>[FR] THIENO[3,2-B]PYRIDINE-6-CARBONITRILES ET THIENO[2,3-B]PYRIDINE-5-CARBONITRILES EN TANT QU'INHIBITEURS DE PROTEINE KINASE
  申请人：WYETH CORP

  公开号：WO2004048386A3

  公开（公告）日：2004-10-07