5,6-二氢噻吩并[2,3-d]吡嗪-4,7-二酮 | 91533-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5,6-二氢噻吩并[2,3-d]吡嗪-4,7-二酮
• 中文别名: 5,6-二氢噻吩并[2,3-D]哒嗪-4,7-二酮
• 英文名称: 5,6-dihydro-thieno[2,3-d]pyridazine-4,7-dione
• 英文别名: 5,6-Dihydro-thieno[2,3-d]pyridazin-4,7-dion；5,6-dihydro-thieno[2,3-d]pyridazin-4,7-dione；1,4-Dioxo-1,2,3,4-tetrahydro-thieno<2,3-d>pyridazin；5,6-Dihydrothieno[2,3-d]pyridazine-4,7-dione
• CAS: 91533-21-0
• 化学式: C₆H₄N₂O₂S
• mdl: MFCD21604255
• 分子量: 168.176
• InChiKey: KWBNTVHZVCVOAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 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：
  86.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5,6-Dihydrothieno[2,3-d]pyridazine-4,7-dione
Synonyms: 5H,6H-thieno[2,3-d]pyridazine-4,7-dione

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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: 5,6-Dihydrothieno[2,3-d]pyridazine-4,7-dione
CAS number: 91533-21-0

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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: C6H4N2O2S
Molecular weight: 168.2

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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, 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：

  5,6-二氢噻吩并[2,3-d]吡嗪-4,7-二酮 在 吡啶 、 三氯氧磷 作用下， 生成 (7-chloro-thieno[2,3-d]pyridazin-4-yl)-phenyl-amine
  参考文献：
  名称：

  Robba,M. et al., Bulletin de la Societe Chimique de France, 1967, p. 4220 - 4235

  摘要：

  DOI：
• 作为产物：
  描述：

  噻吩-2,3-二甲酸甲酯 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以89%的产率得到5,6-二氢噻吩并[2,3-d]吡嗪-4,7-二酮
  参考文献：
  名称：

  Substituted pyridines and pyridazines with angiogenesis inhibiting activity

  摘要：

  具有抑制血管生成活性的取代吡啶并呈现广义结构式的物质，其中包含A、B、D、E和L的环为苯或含氮杂环；基团X和Y可以是多种定义的连接单元中的任意一种；R1和R2可以是定义独立取代基，或者一起可以是环定义的桥；环J可以是芳基、吡啶基或环烷基基团；G基团可以是多种定义的取代基之一。还公开了含有这些物质的药物组合物，以及使用这些物质治疗具有异常血管生成或高渗透性过程特征的哺乳动物的方法。

  公开号：

  US06689883B1

文献信息

• Substituted pyridines and pyridazines with angiogenesis inhibiting activity
  申请人：Bayer Pharmaceuticals Corporation

  公开号：US06689883B1

  公开（公告）日：2004-02-10

  Substituted pyridazines having angiogenesis inhibiting activity and the generalized structural formula wherein the ring containing A, B, D, E, and L is phenyl or a nitrogen-containing heterocycle; groups X and Y may be any of a variety of defined linking units; R1 and R2 may be defined independent substituents or together may be a ring-defining bridge; ring J may be an aryl, pyridyl, or cycloalkyl group; and G groups may be any of a variety of defined substituents. Pharmaceutical compositions containing these materials, and methods of treating a mammal having a condition characterized by abnormal angiogenesis or hyperpermiability processes using these materials are also disclosed.

  具有抑制血管生成活性的取代吡啶并呈现广义结构式的物质，其中包含A、B、D、E和L的环为苯或含氮杂环；基团X和Y可以是多种定义的连接单元中的任意一种；R1和R2可以是定义独立取代基，或者一起可以是环定义的桥；环J可以是芳基、吡啶基或环烷基基团；G基团可以是多种定义的取代基之一。还公开了含有这些物质的药物组合物，以及使用这些物质治疗具有异常血管生成或高渗透性过程特征的哺乳动物的方法。
• COMPOUNDS FOR TREATING PULMONARY HYPERTENSION
  申请人：Klein Martina

  公开号：US20100113452A1

  公开（公告）日：2010-05-06

  The present invention relates to pharmaceutical compositions and combinations for treating, preventing or managing pulmonary hypertension comprising small molecule heterocyclic pharmaceuticals, and more particularly, substituted pyridines and pyridazines optionally combined with at least one additional therapeutic agent.

  本发明涉及用于治疗、预防或管理肺动脉高压的制药组合物和组合物，包括小分子杂环类药物，特别是取代的吡啶和吡啶二氮杂环，可选地与至少一种其他治疗剂联合使用。
• AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XVIII. DERIVATIVES OF 4-PYRIMIDONE
  作者：B. R. BAKER、ROBERT E. SCHAUB、JOSEPH P. JOSEPH、FRANCIS J. McEVOY、JAMES H. WILLIAMS

  DOI：10.1021/jo01130a003

  日期：1953.2
• SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY
  申请人：BAYER CORPORATION

  公开号：EP1228063B1

  公开（公告）日：2009-02-11
• 2,3-Furan, Pyrrole and Thiophenedicarboxylic Acids
  作者：Reuben G. Jones

  DOI：10.1021/ja01620a031

  日期：1955.8